L-天冬氨酸-1-叔丁酯

L-天冬氨酸-1-叔丁酯 基本信息
CAS号 4125-93-3 分子式 C8H15NO4
分子量 189.20900 精确质量  189.10000
PSA  89.62000 LogP  0.83040

基本信息 展开↓

CAS号:
4125-93-3
3D弹球模型:
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分子式:
C8H15NO4
分子量:
189.20900
中文名称:
L-天冬氨酸-1-叔丁酯
英文名称:
H-ASP-OTBU
中文别名:
L-天冬氨酸-1-叔丁酯;
H-Asp-OtBu;
L-天冬氨酸叔丁脂;
Tris(2-methylpropyl) phosphine;
Tri-i-butylphosphine;
Dichloroacetic acid anhydride;
NSC 401832;
2,2'-Dichloroacetic anhydride;
Acetic acid, dichloro-, anhydride;
Dichloroacetic anhydride;
Phenethylamine, N-methyl-, hydrochloride;
Phenylethylamine, beta,N-methyl;
N-Methylphenethylamine, hydrochloride;
N-methylphenylethylamine HCl;
Diethylenetriamine, 4-(2-aminoethyl)-;
N,N-bis(2-aminoethyl)ethane-1,2-diamine;
N,N-bis(2-ammonioethyl)ethane-1,2-diaminium;
N,N-bis(2-aminoethyl)ethylenediamine;
(2S)-1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-aminium;
L-tyrosine ethyl ester hydrochloride;
N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylene phosphoric acid ester diamide;
Naxamide;
Z4942;
N,3-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide;
Ifosfamide;
D(+)-alpha-Methylbenzylamine;
Propionylerythromycin lauryl sulfate;
Prospiocine;
Roxomicina;
Stellamicina;
Sulfuric acid, monododecyl ester, compd. with erythromycin 2'-propionate (1:1);
UNII-XRJ2P631HP;
Erythromycin, 2'-propanoate, dodecyl
英文别名:
H-ASP-OTBU;
tert-butyl L-aspartate;
Asparaginsaeure;
Lysine aspartate;
L-tert-butyl aspartate;
L-Lysine L-aspartate;
L-Lysine aspartate;
Asparaginsaeure-1-tert-butylester;
L-Aspartic acid 1-tert-butyl ester
精确分子量/精确质量:
189.10000
极性分子表面积/PSA:
89.62000
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/C8H15NO4/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m0/s1

物化性质展开↓

外观与性状:
白色粉末
密度:
1.126 g/cm3
沸点:
297.8ºC at 760 mmHg
闪点:
133.9°C
折射率:
1.475

安全信息展开↓

海关代码:
2922509090

合成路线查看所有的合成路线

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  • 4125-93-3

    L-天冬氨酸-1-叔丁酯

  • 129460-09-9

    芴甲氧羰基-L-天冬氨酸-1-叔丁酯

  • 4125-93-3

    L-天冬氨酸-1-叔丁酯

MSDS 展开↓

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      H-Asp-OtBu    
    Synonyms:        (S)-3-amino-4-tert-butoxy-4-oxobutanoic acid    

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        H-Asp-OtBu    
    CAS number:        4125-93-3    

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:        C8H15NO4    
    Molecular weight:        189.2    

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: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%

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