盐酸麻黄碱

盐酸麻黄碱 基本信息
CAS号 50-98-6 分子式 C10H16ClNO
分子量 201.69300 精确质量  201.09200
PSA  32.26000 LogP  2.52080

等价的CAS号:

50-98-6,134-71-4,345-78-8,670-40-6,24221-86-1,56979-55-6,63991-26-4,77262-74-9,77274-98-7

基本信息 展开↓

CAS号:
50-98-6
3D弹球模型:
立即前往扯扯看
分子式:
C10H16ClNO
分子量:
201.69300
中文名称:
盐酸麻黄碱
英文名称:
Ephedrine hydrochloride
中文别名:
盐酸麻黄碱;
左旋麻黄素;
[R-(R*,S*)]-α-[1-(甲氨基)乙基]苯甲醇盐酸盐;
(1R,2S)-2-甲氨基-苯丙烷-1-醇盐酸盐;
(1R,2S)-()-盐酸麻黄碱
英文别名:
Ephedrine hydrochloride;
ephedronguent;
CPDD 0047;
(-)-(1R,2S)-ephedrine hydrochloride;
L-(-) EPHIDRINE HCL;
Ephedrine hydrochoride;
[1R,2S]-(-)-ephedrinium hydrochloride;
EPHEDRINE HCL;
altusin;
(1R,2S)-2-methylamino-1-phenylpropan-1-ol hydrochloride;
(-)-ephedrine hydrochloride;
Ephedrine Hc1;
ephedriniumchloride;
L-Ephedrine HCl
精确分子量/精确质量:
201.09200
极性分子表面积/PSA:
32.26000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00012626
EINECS:
200-074-6
PubChem:
24868730
BRN:
3630391
InChI:
The Key: BALXUFOVQVENIU-KXNXZCPBSA-N

生产制备方法及用途展开↓

制备方法


作为一种刺激,抑制食欲,集中援助, 解充血药,以及治疗性低血压与麻醉。

用途简介


用途


作为一种刺激,抑制食欲,集中援助, 解充血药,以及治疗性低血压与麻醉。

物化性质展开↓

熔点:
216-220 °C(lit.)
存储条件/存储方法:

密封于阴凉干燥环境。

稳定性相关:

如果遵照规格使用和储存则不会分解。

其它信息:

1.       性状:白色粉末

2.       密度(g/mL,25/4): 无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):216-220

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa): 无可用

7.       折射率: 无可用

8.       闪点(ºC): 无可用

9.       比旋光度(º):-34 º (c=4, H2O)

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V): 无可用

19.    溶解性:可溶于水

安全信息展开↓

海关代码:
2939410010
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R22:Harmful if swallowed.
安全说明:
S22-S23
RTECS号:
KB1750000
危险标志:
Xn

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KB1750000
CHEMICAL NAME :
Ephedrine, hydrochloride, (-)-
CAS REGISTRY NUMBER :
50-98-6
LAST UPDATED :
199709
DATA ITEMS CITED :
23
MOLECULAR FORMULA :
C10-H15-N-O.Cl-H
MOLECULAR WEIGHT :
201.72
WISWESSER LINE NOTATION :
QYR&Y1&M1 &GH -L

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intradermal
SPECIES OBSERVED :
Human
DOSE/DURATION :
5700 ng/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - local anesthetic
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 76,295,1942
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
165 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,284,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 95,336,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
69 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 33,80,1944
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,966,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
242 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 158,135,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40870 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 87,214,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
95 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 95,336,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MAIZAB Manshu Igaku Zasshi. Manchuria Medical Journal. (Dairen/Shimmeicho, South Manchuria) V.1-33, 1923-40. Discontinued. Volume(issue)/page/year: 3,1,1925
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
MEDEAJ Medecine (Paris). (Paris, France) V.1-40, 1919-59. Discontinued. Volume(issue)/page/year: 9,59,1930
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
MEDEAJ Medecine (Paris). (Paris, France) V.1-40, 1919-59. Discontinued. Volume(issue)/page/year: 9,59,1930
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Cardiac - other changes
REFERENCE :
MEDEAJ Medecine (Paris). (Paris, France) V.1-40, 1919-59. Discontinued. Volume(issue)/page/year: 9,59,1930
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
165 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,284,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 95,336,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 86,284,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
192 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - excitement
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 59,355,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
98 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - excitement
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 59,355,1963
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Cardiac - other changes
REFERENCE :
MEDEAJ Medecine (Paris). (Paris, France) V.1-40, 1919-59. Discontinued. Volume(issue)/page/year: 9,59,1930
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
MEDEAJ Medecine (Paris). (Paris, France) V.1-40, 1919-59. Discontinued. Volume(issue)/page/year: 9,59,1930
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
440 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MAIZAB Manshu Igaku Zasshi. Manchuria Medical Journal. (Dairen/Shimmeicho, South Manchuria) V.1-33, 1923-40. Discontinued. Volume(issue)/page/year: 3,1,1925 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82258 No. of Facilities: 944 (estimated) No. of Industries: 4 No. of Occupations: 8 No. of Employees: 1983 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82258 No. of Facilities: 348 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 3160 (estimated) No. of Female Employees: 1320 (estimated)
毒理学数据:

1
试验方法:皮内
摄入剂量: 5700纳克/千克
测试对象:人力
毒性类型:急性
毒性作用:神经和感觉-局部麻醉
2.

试验方法:口服
摄入剂量: 400毫克/千克
测试对象:啮齿动物-
毒性类型:急性
毒性作用:详细的毒副作用没有报告以外的其他致死剂量值

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓

Name: (1R,2S)-(-)-Ephedrine hydrochloride, 99.0-101.0% (dry subst.) Material Safety Data Sheet
Synonym: (-)-2-Methylamino-1-phenyl-propane-1-ol hydrochloride; L-alpha-(1-Methylaminoethyl)benzyl alcohol; Benzenemethanol, alpha-[(1S)-1-(methylamino)ethyl]-, hydrochloride, (alphaR); Benzenemethanol, alpha-[1-(methylamino)ethyl]-, hydrochloride, [R-(R,S)]-; Benzenemethanol, alpha-[1-(methylamino)ethyl]-, hydrochloride, [R-(R,)]-; Ephedrine hydrochloride; Ephedrine, hydrochloride, (-)-; L-Ephedrine, hydrochloride; N-Methyl-beta-oxy-beta-phenylisopropylaminhydrochloride
CAS: 50-98-6
Section 1 - Chemical Product MSDS Name: (1R,2S)-(-)-Ephedrine hydrochloride, 99.0-101.0% (dry subst.) Material Safety Data Sheet
Synonym: (-)-2-Methylamino-1-phenyl-propane-1-ol hydrochloride; L-alpha-(1-Methylaminoethyl)benzyl alcohol; Benzenemethanol, alpha-[(1S)-1-(methylamino)ethyl]-, hydrochloride, (alphaR); Benzenemethanol, alpha-[1-(methylamino)ethyl]-, hydrochloride, [R-(R,S)]-; Benzenemethanol, alpha-[1-(methylamino)ethyl]-, hydrochloride, [R-(R,)]-; Ephedrine hydrochloride; Ephedrine, hydrochloride, (-)-; L-Ephedrine, hydrochloride; N-Methyl-beta-oxy-beta-phenylisopropylaminhydrochloride
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
50-98-6 (1R,2S)-(-)-Ephedrine hydrochloride >99 200-074-6
Hazard Symbols: XN
Risk Phrases: 22
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed.Light sensitive.The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Contact with the skin may cause a local anesthetic effect.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:


SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Store protected from light.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 50-98-6: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Powder
Color: colorless or white
Odor: None reported.
pH: 5.9 (aq. soln 1:200)
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 217.00 - 220.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: freely soluble
Specific Gravity/Density: Not available.
Molecular Formula: C10H15NO.HCl
Molecular Weight: 201.70
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. Light sensitive.
Conditions to Avoid:
Incompatible materials, light, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents, direct light.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Will not occur.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 50-98-6: KB1750000
LD50/LC50:
CAS# 50-98-6: Oral, mouse: LD50 = 400 mg/kg.
Carcinogenicity:
(1R,2S)-(-)-Ephedrine hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 22 Do not breathe dust. S 25 Avoid contact with eyes. WGK (Water Danger/Protection) CAS# 50-98-6: 1 Canada CAS# 50-98-6 is listed on Canada's DSL List. CAS# 50-98-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 50-98-6 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #5 Date: 2/17/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1摩尔折射率:无可用

2、   摩尔体积(cm3/mol): 无可用

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

计算化学数据


1、   疏水参数计算参考值(XlogP):无可用

2、   氢键供体数量:3

3、   氢键受体数量:2

4、   可旋转化学键数量:3

5、   拓扑分子极性表面积(TPSA):32.3

6、   重原子数量:13

7、   表面电荷:0

8、   复杂度:121

9、   同位素原子数量:0

10、   确定原子立构中心数量:2

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:2

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