N-苯乙酰基-L-谷氨酰胺

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

N-苯乙酰基-L-谷氨酰胺 基本信息

中文名称:
N-苯乙酰基-L-谷氨酰胺 
中文别名:
N-苯乙酰基-L-谷氨酰胺;
苯乙酰谷氨酰胺;
2-[[2-(4-羟基苯基)乙酰基]氨基]戊二酸;
N2-(2-苯乙酰基)-L-谷氨酰胺 
英文名称:
L-Glutamine,N2-(2-phenylacetyl)-
英文别名:
N2-phenylacetyl-L-glutamine;
N(2)-phenylacetyl-L-glutamine;
(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoic acid;
Phenylacetyl L-Glutamine 
CAS No.:
28047-15-6
分 子 式:
C13H16N2O4
分 子 量:
264.28
精确分子量:
264.11100
PSA:
109.49000
InChI:
InChI=1/C13H15NO6/c15-9-3-1-8(2-4-9)7-11(16)14-10(13(19)20)5-6-12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)(H,19,20)
分子结构式:
SDS:
查看

N-苯乙酰基-L-谷氨酰胺 物化性质

密度:
1.279g/cm3
熔点:
85-87?C
沸点:
655.5ºC at 760mmHg
闪点:
350.2ºC
折射率:
1.595
蒸汽压:
1.33E-17mmHg at 25°C

N-苯乙酰基-L-谷氨酰胺 安全信息

海关代码:
2924299090

N-苯乙酰基-L-谷氨酰胺 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MA2276800
CHEMICAL NAME :
Glutamine, N(sup 2)-(phenylacetyl)-, L-
CAS REGISTRY NUMBER :
28047-15-6
BEILSTEIN REFERENCE NO. :
2593680
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-N2-O4
MOLECULAR WEIGHT :
264.31
WISWESSER LINE NOTATION :
ZV2YVQMV1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
IJMDAI Israel Journal of Medical Sciences. (POB 1435, Jerusalem 91013, Israel) V.1- 1965- Volume(issue)/page/year: 13,316,1977

N-苯乙酰基-L-谷氨酰胺 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      Phenylac-Gln-OH    
    Synonyms:

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

Section 3. Composition/information on ingredients.
    Ingredient name:        Phenylac-Gln-OH    
    CAS number:        28047-15-6    

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, refrigerated.
    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:        C13H16N2O4    
    Molecular weight:        264.3    

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

N-苯乙酰基-L-谷氨酰胺 海关数据

中国海关编码:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N-苯乙酰基-L-谷氨酰胺 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):0

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:7

5.互变异构体数量:6

6.拓扑分子极性表面积:110

7.重原子数量:19

8.表面电荷:0

9.复杂度:338

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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