(2R,3S)-(-)-2-氨基-3-羟基-4-甲基戊酸

(2R,3S)-(-)-2-氨基-3-羟基-4-甲基戊酸 基本信息
CAS号 87421-23-6 分子式 C6H13NO3
分子量 147.17200 精确质量 　147.09000
PSA 　83.55000 LogP 　0.11550
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等价的CAS号：

5817-22-1,6645-45-0,10148-70-6,28908-11-4,35016-54-7,35016-62-7,87421-23-6,87421-24-7,10148-71-7
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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：
87421-23-6
3D弹球模型：
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分子式：
C6H13NO3
分子量：
147.17200
中文名称：
(2R,3S)-(-)-2-氨基-3-羟基-4-甲基戊酸
英文名称：
(2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid
中文别名：
(2R,3S)-(-)-2-氨基-3-羟基-4-甲基戊酸;
D(-)-苏-3-羟基亮氨酸;
4-Chloro-2-fluorobenzyl chloride;
Dess-martin;
1,1,1-Triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one;
Dess Martin Periodinane;
Dess-Martin Reagent;
1,1,1-tris(acetyloxy)-1lambda~5~,2-benziodoxol-3(1H)-one;
Dess-Martin periodinane;
(2R)-tetrahydrofuran-2-carboxylate;
(2S)-tetrahydrofuran-2-carboxylate;
(R)-tetrahydrofuran-2-carboxylic acid;
emadine;
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole di[(2E)-but-2-enedioate];
Emedastine Difumarate;
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,3S)-2-amino-3-hydroxy-4-methylpentanoic acid;
(2S,3R)-3-hydroxyleucine;
D-threo-hydroxyleucine;
D-threo-|A-Hydroxyleucine;
(3S)-3-Hydroxy-D-leucine;
(2R,3S)-(-)-2-Amino-3-hydroxy-4-methylpentanoic acid;
(2R,3S)-|A-Hydroxyleucine;
(2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid;
threo-3-Hydroxy-D-leucine
精确分子量/精确质量：
147.09000
极性分子表面积/PSA：
83.55000
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/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1

物化性质展开↓

外观与性状：
白色结晶粉末
密度：
1.181 g/cm3
熔点：
205-208ºC
沸点：
319ºC at 760 mmHg
闪点：
146.7ºC
水溶解性：
soluble
折射率：
1.495
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℃）：无可用

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：206-208

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）：-19.4(6N HCl）

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：
2922509090
安全说明：
S24/25
安全标志：
S24/25:防止皮肤和眼睛接触。

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: (2R 3S)-(-)-2-Amino-3-hydroxy-4-methylpentanoic acid 99.5+% Material Safety Data Sheet
Synonym: D(-)-threo-3-Hydroxyleucine
CAS: 87421-23-6
Section 1 - Chemical Product   MSDS Name:(2R 3S)-(-)-2-Amino-3-hydroxy-4-methylpentanoic acid 99.5+% Material Safety Data Sheet
Synonym:D(-)-threo-3-Hydroxyleucine
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
87421-23-6 (2R,3S)-(-)-2-Amino-3-hydroxy-4-methyl >99.5 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
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. Runoff from fire control or dilution water may cause pollution.
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:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing dust.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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# 87421-23-6: 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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 206-208 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H13NO3
Molecular Weight: 147.17
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 87421-23-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(2R,3S)-(-)-2-Amino-3-hydroxy-4-methylpentanoic acid - 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
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 87421-23-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 87421-23-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 87421-23-6 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：2922509090

概述：
2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件：
A.入境货物通关单B.出境货物通关单
检验检疫：
R.进口食品卫生监督检验S.出口食品卫生监督检验
摘要/Summary：
2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. 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：36.35

2、   摩尔体积（m3/mol）：124.5

3、   等张比容（90.2K）：330.5

4、   表面张力（dyne/cm）：49.6

5、   极化率（10-24cm3）：14.41

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:3

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积83.6

7.重原子数量:10

8.表面电荷:0

9.复杂度:124

10.同位素原子数量:0

11.确定原子立构中心数量:2

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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