卡乃津盐酸盐

卡乃津盐酸盐 基本信息
CAS号 5852-92-6 分子式 C13H20ClNO2
分子量 257.75600 精确质量  257.11800
PSA  21.70000 LogP  2.99260

基本信息 展开↓

CAS号:
5852-92-6
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分子式:
C13H20ClNO2
分子量:
257.75600
中文名称:
卡乃津盐酸盐
英文名称:
1,2-DIMETHYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
中文别名:
卡乃津盐酸盐;
Carnegine hydrochloride
英文别名:
1,2-DIMETHYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE;
CARNEGINE HCL;
1,2-Dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineHCl;
3-(4-CHLOROPHENYL)IMINO-1-(1-PIPERIDYLMETHYL)INDOL-2-ONE;
6,7-Dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydro-isochinolin,Hydrochlorid;
Carnegine hydrochloride;
(+-)-6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydro-isoquinoline,hydrochloride
精确分子量/精确质量:
257.11800
极性分子表面积/PSA:
21.70000
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:
MFCD00035272
InChI:
The Key: LARXMHOYLNCTFD-UHFFFAOYSA-N

物化性质展开↓

熔点:
210-215ºC
沸点:
302ºC at 760mmHg
闪点:
100.9ºC
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。远离腐蚀区。

其它信息:

1.      性状:白色或黄色结晶

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):210-215

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,0.07mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:溶于水

安全信息展开↓

危险类别码:
R34
安全说明:
S26-S45-S36-S37-S39
危险标志:
C,Xi

合成路线查看所有的合成路线

  • 17104-28-8

    6,7-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium,iodide

  • ~94%

  • 5852-92-6

    卡乃津盐酸盐

  • 4721-98-6

    1-甲基-6,7-二甲氧基-3,4-二氢异喹啉

  • 5852-92-6

    卡乃津盐酸盐

MSDS 展开↓

Name: 1 2-Dimethyl-6 7-dimethoxy-1 2 3 4-tetrahydroisoquinoline Material Safety Data Sheet
Synonym: N-Methylsalsolidine hydrochloride
CAS: 5852-92-6
Section 1 - Chemical Product   MSDS Name:1 2-Dimethyl-6 7-dimethoxy-1 2 3 4-tetrahydroisoquinoline Material Safety Data Sheet
Synonym:N-Methylsalsolidine hydrochloride

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5852-92-6 1,2-Dimethyl-6,7-dimethoxy-1,2,3,4-tet 98% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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 chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 5852-92-6: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: white - yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 210 - 215 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in water
Specific Gravity/Density:
Molecular Formula: C13H20NO2Cl
Molecular Weight: 257.76

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
None reported.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 5852-92-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,2-Dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Pseudomonas putida:

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 5852-92-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5852-92-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5852-92-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1、   疏水参数计算参考值(XlogP):2.1

2、   氢键供体数量:0

3、   氢键受体数量:3

4、   可旋转化学键数量:2

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):21.7

7、   重原子数量:16

8、   表面电荷:0

9、   复杂度:234

10、   同位素原子数量:0

11、   确定原子立构中心数量:1

12、   不确定原子立构中心数量:0

13、   确定化学键立构中心数量:0

14、   不确定化学键立构中心数量:0

15、   共价键单元数量:1

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