BOC-L-2-氨基丁酸

BOC-L-2-氨基丁酸 基本信息
CAS号 34306-42-8 分子式 C9H17NO4
分子量 203.23600 精确质量 　203.11600
PSA 　75.63000 LogP 　1.76520
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等价的CAS号：

77284-64-1,34306-42-8,45121-22-0,52881-98-8
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
34306-42-8
3D弹球模型：
立即前往扯扯看
分子式：
C9H17NO4
分子量：
203.23600
中文名称：
BOC-L-2-氨基丁酸
英文名称：
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
中文别名：
BOC-L-2-氨基丁酸;
叔丁氧羰基氨基丁酸;
Boc-L-2-氨基丁酸;
N-Boc-L-2-氨基丁酸;
BOC-L-Α-氨基吲哚丁酸;
叔丁氧羰酰基Α氨基丁酸;
N-叔丁氧羰基-L-2-氨基丁酸;
(S)-2-(Boc-氨基)丁酸
英文别名：
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;
Boc-2-aminobutanoic acid;
Boc-L-α-Aminobutyric acid amide;
Boc-L-2-aminobutanoic acid;
(2S)-2-tert-butoxycarbonylaminobutyric acid;
(S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butyric acid;
Boc-L-2-aminobutyric acid;
Boc-Abu-OH;
Boc-L-2-Aminobutyric acid;
(S)-Boc-2-aminobutyric acid;
Boc-Abu-OH.DCHA;
N-t-butoxycarbonyl-2(S)-aminobutyric acid;
(S)-2-(Boc-amino)butyric acid;
N-tert-butoxycarbonyl-L-ethylglycine;
(S)-2-(tert-butoxycarbonylamino)butyric acid;
N-Boc-L-2-aminobutyric acid;
(S)-2-((tert-Butoxycarbonyl)amino)butanoic acid
精确分子量/精确质量：
203.11600
极性分子表面积/PSA：
75.63000
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：
MFCD00037267
PubChem：
24849517
BRN：
6801706
InChI：
InChI=1/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1

物化性质展开↓

外观与性状：
白色粉末
密度：
1.101g/cm3
熔点：
70-74 °C
沸点：
334.5ºC at 760mmHg
闪点：
156.1ºC
折射率：
1.46

安全信息展开↓

海关代码：
2924199090
WGK_Germany：
3
德国有关水污染物质的分类清单

合成路线查看所有的合成路线

  • 58561-08-3

    (S)-methyl 2-(((tert-butoxy)carbonyl)amino)butanoate

  • →

    ~99%

  • 34306-42-8

    BOC-L-2-氨基丁酸

  • 1492-24-6

    L-2-氨基丁酸

  • →

    ~99%

  • 34306-42-8

    BOC-L-2-氨基丁酸

  • 1492-24-6

    L-2-氨基丁酸

  • +

  • 24424-99-5

    二碳酸二叔丁酯

  • →

    ~98%

  • 34306-42-8

    BOC-L-2-氨基丁酸

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      Boc-Abu-OH    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
    Ingredient name:        Boc-Abu-OH    
    CAS number:        34306-42-8    
Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    
Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C9H17NO4    
    Molecular weight:        203.2    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    Non-harzardous for air and ground transportation.
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2924199090

概述：
2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 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, 包装
摘要/Summary：
2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. 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：50.54

2、   摩尔体积（cm3/mol）：179.3

3、   等张比容（90.2K）：458.2

4、   表面张力（dyne/cm）：42.6

5、   极化率：20.03

6、   介电常数：未确定

计算化学数据

1.疏水参数计算参考值（XlogP）:1.5

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:5

5.互变异构体数量:2

6.拓扑分子极性表面积75.6

7.重原子数量:14

8.表面电荷:0

9.复杂度:219

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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