(R)-2-氨基-3-羟基-3-甲基丁酸

(R)-2-氨基-3-羟基-3-甲基丁酸 基本信息
CAS号 2280-48-0 分子式 C5H11NO3
分子量 133.14600 精确质量  133.07400
PSA  83.55000 LogP  -0.13050

基本信息 展开↓

CAS号:
2280-48-0
3D弹球模型:
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分子式:
C5H11NO3
分子量:
133.14600
中文名称:
(R)-2-氨基-3-羟基-3-甲基丁酸
英文名称:
(2R)-2-amino-3-hydroxy-3-methylbutanoic acid
中文别名:
(R)-2-氨基-3-羟基-3-甲基丁酸;
D-BETA-羟基缬氨酸;
D-BATE-羟基缬氨酸;
D-BATE-羟基缬氨酸,(R)-2-氨基-3-羟基-3-甲基丁酸
英文别名:
(2R)-2-amino-3-hydroxy-3-methylbutanoic acid;
D-Threonine,3-methyl;
D-b-Hydroxyvaline
精确分子量/精确质量:
133.07400
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:
The Key: LDRFQSZFVGJGGP-VKHMYHEASA-N

物化性质展开↓

外观与性状:
白色粉末
密度:
1.241 g/cm3
沸点:
317.288ºC at 760 mmHg
闪点:
145.691ºC

安全信息展开↓

海关代码:
2922509090

合成路线查看所有的合成路线

  • 84907-85-7

    (R)-(-)-β-Hydroxyvaline methyl ester

  • ~64%

  • 2280-48-0

    (R)-2-氨基-3-羟基-3-甲基丁酸

  • 119906-44-4

    119906-44-4

  • ~30%

  • 2280-48-0

    (R)-2-氨基-3-羟基-3-甲基丁酸

  • 2280-28-6

    (R)-2-氨基-3-羟基-3-甲基丁酸

  • 2280-48-0

    (R)-2-氨基-3-羟基-3-甲基丁酸

MSDS 展开↓

Name: (R)-(-)-2-Amino-3-hydroxy-3-methylbutanoic acid Material Safety Data Sheet
Synonym: 3-Hydroxy-D-valine
CAS: 2280-48-0
Section 1 - Chemical Product   MSDS Name:(R)-(-)-2-Amino-3-hydroxy-3-methylbutanoic acid Material Safety Data Sheet
Synonym:3-Hydroxy-D-valine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2280-48-0 3-Hydroxy-D-valine 99 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:
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. 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 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# 2280-48-0: 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: Crystalline powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C5H11NO3
Molecular Weight: 133.15

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, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2280-48-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Hydroxy-D-valine - 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# 2280-48-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2280-48-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2280-48-0 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↓

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:2

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:9

8.表面电荷:0

9.复杂度:121

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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