D-蛋氨醇

D-蛋氨醇 基本信息
CAS号 87206-44-8 分子式 C5H13NOS
分子量 135.22800 精确质量 　135.07200
PSA 　71.55000 LogP 　0.75940
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等价的CAS号：

502-83-0,2899-37-8,16720-80-2,87206-44-8
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目录
基本信息 物化性质 安全信息 毒性 MSDS 海关数据 结构与计算数据

基本信息 展开↓

CAS号：
87206-44-8
3D弹球模型：
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分子式：
C5H13NOS
分子量：
135.22800
中文名称：
D-蛋氨醇
英文名称：
(2R)-2-amino-4-methylsulfanylbutan-1-ol
中文别名：
D-蛋氨醇;
(1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione;
15,16-Dihydrotanshinone I;
Dihydrotanshinone I;
(3-Hydroxymethylphenyl)boronic acid;
(2-Hydroxymethylphenyl)boronic acid, dehydrate;
1-BOC-4-AMINOPIPERIDINE;
1-BUTYLOXYCARBONYL-4-AMINO-PIPERIDINE;
4-AMINO-1-BOC-PIPERIDINE;
4-AMINO-1-TERT-BUTOXYCARBONYL-PIPERIDINE;
4-AMINO-1-N-BOC-PIPERIDINE;
4-AMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;
4-AMINOPIPERIDINE, 1-BOC PROTECTED;
CHEMBRDG-BB 4003509;
BUTTPARK 906-10;
BOC-PIP(4-NH2);
tert-butyl 4-aminopiperidine-1-carboxylate;
4-Amino-N-Boc-piperidine;
1-(tert-butoxycarbonyl)piperidin-4-aminium;
N-tert-Butoxycarbonyl-4-aminopiperidine;
N-Boc-4-Amino Piperidine;
N-Boc-4-amino-piperidine;
1-Boc-aminopiperidine;
N-Boc-4-piperidineamine
英文别名：
(2R)-2-amino-4-methylsulfanylbutan-1-ol;
(S)-Methioninol;
H-D-Met-ol;
(R)-2-Amino-4-methylmercapto-butan-1-ol;
(R)-2-amino-4-methylthio-1-butanol;
(R)-2-amino-4-methylsulfanyl-butan-1-ol;
D(+)-Methioninol;
(R)-methioninol;
L-2-amino-4-methylsulfanylbutanol;
AmbotzFAL1006
精确分子量/精确质量：
135.07200
极性分子表面积/PSA：
71.55000
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。
InChI：
InChI=1/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m1/s1

物化性质展开↓

外观与性状：
透明晶体
密度：
1.068 g/cm3
熔点：
31 - 33ºC
沸点：
198 - 200ºC
闪点：
113ºC
折射率：
1.5216
存储条件/存储方法：

 

密闭于0-6 ºC阴凉干燥环境中

稳定性相关：

 

 

遵照规定使用和储存则不会分解。

其它信息：

1.       性状：无可用

2.       密度（g/mL,25/4℃）：1.095

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：31-36

5.       沸点（ºC,常压）：120-122

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率： 1.5216

8.       闪点（ºC）：113

9.       比旋光度（º）：12.7（C=1.4, 乙醇）

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：无可用

安全信息展开↓

海关代码：
2930909090
危险类别码：
R36/37/38
安全说明：
S26-S37/39
安全标志：
S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S24/25:防止皮肤和眼睛接触。
:
危险标志：
Xi: Irritant;

毒理性展开↓

生态数据：

 

 

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Name: D-(+)-Methioninol Material Safety Data Sheet
Synonym: (R)-2-Amino-4-methylmercapto-1-butano
CAS: 87206-44-8
Section 1 - Chemical Product   MSDS Name:D-(+)-Methioninol Material Safety Data Sheet
Synonym:(R)-2-Amino-4-methylmercapto-1-butano
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
87206-44-8 D-(+)-Methioninol unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
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.
Ingestion:
Get medical aid. Wash mouth out with 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:
Treat symptomatically and supportively.
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.
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.
Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Keep refrigerated. (Store below 4C/39F.)
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# 87206-44-8: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: waxy
Odor: sulfurous odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 120-122 deg C @ 1 m
Freezing/Melting Point: 31-36 deg C
Autoignition Temperature: Not available.
Flash Point: > 109 deg C (> 228.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density: 1.095
Molecular Formula: C5H13NOS
Molecular Weight: 135.1571
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 87206-44-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
D-(+)-Methioninol - Not listed by ACGIH, IARC, or NTP.
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
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 87206-44-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 87206-44-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 87206-44-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2930909090

概述：
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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：38.23

2、   摩尔体积（m3/mol）：126.5

3、   等张比容（90.2K）：324.8

4、   表面张力（dyne/cm）：43.3

5、   极化率（10-24cm3）：15.15

计算化学数据

1、   疏水参数计算参考值（XlogP）：-0.3

2、   氢键供体数量：2

3、   氢键受体数量：1

4、   可旋转化学键数量：4

5、   拓扑分子极性表面积（TPSA）：47.9

6、   重原子数量：8

7、   表面电荷：1

8、   复杂度：51.7

9、   同位素原子数量：0

10、   确定原子立构中心数量：1

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：1

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