(S)-(+)-2-氨基-3-羟基-3-甲基丁酸

(S)-(+)-2-氨基-3-羟基-3-甲基丁酸 基本信息
CAS号 2280-27-5 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:
2280-27-5
3D弹球模型:
立即前往扯扯看
分子式:
C5H11NO3
分子量:
133.14600
中文名称:
(S)-(+)-2-氨基-3-羟基-3-甲基丁酸
英文名称:
(S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid
中文别名:
(S)-(+)-2-氨基-3-羟基-3-甲基丁酸;
(S)-2-氨基-3-羟基-3-甲基丁酸;
L(+)-beta-羟基缬氨酸;
L-BATE-羟基缬氨酸
英文别名:
(S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid;
4-Methyl-L-threonine;
3-Hydroxy-L-Valine;
2-amino-3-hydroxy-3-methylbutanoic acid
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:
InChI=1/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1

物化性质展开↓

外观与性状:
白色粉末
密度:
1.24 g/cm3
熔点:
201 - 203ºC(decom)
沸点:
317.3ºC at 760 mmHg
闪点:
145.7ºC
水溶解性:
SOLUBLE
折射率:
1.503
蒸汽压:
3.25E-05mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。避免阳光直射。

稳定性相关:

避免与不相容材料,湿空气,水接触。

与强氧化剂反应。

 

其它信息:

1.      性状:白色粉末

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):201-203

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,0.2mmHg):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):-11.75

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mPa,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:易溶于水

安全信息

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。

合成路线查看所有的合成路线

  • 20902-45-8

    D-青霉胺二硫化物

  • 2280-27-5

    (S)-(+)-2-氨基-3-羟基-3-甲基丁酸

  • 102507-13-1

    N-Boc-3-羟基-L-缬氨酸

  • 2280-27-5

    (S)-(+)-2-氨基-3-羟基-3-甲基丁酸

MSDS 展开↓

Name: (S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid Material Safety Data Sheet
Synonym: L-(+)-Hydroxyvaline
CAS: 2280-27-5
Section 1 - Chemical Product   MSDS Name:(S)-(+)-2-Amino-3-hydroxy-3-methylbutanoic acid Material Safety Data Sheet
Synonym:L-(+)-Hydroxyvaline

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2280-27-5 3-Hydroxy-L-valine 98 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. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:
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. Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2280-27-5: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 201-203 deg C (dec)
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature: 201-203 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H11NO3
Molecular Weight: 133.15

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stability unknown.
Conditions to Avoid:
Dust generation, moisture, 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# 2280-27-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Hydroxy-L-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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 2280-27-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2280-27-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2280-27-5 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):-2.8

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:

6、   拓扑分子极性表面积(TPSA):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

上下游相关产品

上游产品

更多
  • 75-86-5

    丙酮氰醇

  • 120-57-0

    胡椒醛

  • 96293-17-3

    (R)-2- [N-(N-苄基脯氨酰)氨基]二苯甲酮

  • 56-40-6

    甘氨酸

  • 67-64-1

    丙酮

下游产品

  • 72-18-4

    L-缬氨酸

  • 102507-13-1

    N-Boc-3-羟基-L-缬氨酸

  • 56-40-6

    甘氨酸

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便