N-ALPHA-苄基-L-精氨酰胺盐酸盐

N-ALPHA-苄基-L-精氨酰胺盐酸盐 基本信息
CAS号 4299-03-0 分子式 C13H20ClN5O2
分子量 313.78300 精确质量  313.13100
PSA  134.09000 LogP  2.61770

基本信息 展开↓

CAS号:
4299-03-0
3D弹球模型:
立即前往扯扯看
分子式:
C13H20ClN5O2
分子量:
313.78300
中文名称:
N-ALPHA-苄基-L-精氨酰胺盐酸盐
英文名称:
(S)-N-(1-Amino-5-guanidino-1-oxopentan-2-yl)benzamide hydrochloride
中文别名:
N-ALPHA-苄基-L-精氨酰胺盐酸盐;
苯甲酰-L-精氨酸乙酯盐酸盐;
苄基-L-精氨酰胺二盐酸盐;
Nα-苯甲酰基-L-精氨酰胺盐酸盐单水合物
英文别名:
(S)-N-(1-Amino-5-guanidino-1-oxopentan-2-yl)benzamide hydrochloride;
Nα-Benzoyl-L-argininamide Hydrochloride Monohydrate;
N-ALPHA-BENZOYL-L-ARGININAMIDE HYDROCHLORIDE;
N-α-BENZOYL-L-ARGININAMIDE HYDROCHLORIDE
精确分子量/精确质量:
313.13100
极性分子表面积/PSA:
134.09000
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。
EINECS:
224-307-6
InChI:
The Key: PYZACNCNNFUUDO-PPHPATTJSA-N

物化性质展开↓

折射率:
6.5 ° (C=4, H2O)
存储条件/存储方法:

避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:不确定

2.       密度(g/mL, 25℃):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):不确定

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 93pa):不确定

7.       折射率:不确定

8.       闪点(ºF):不确定

9.       比旋光度(º, C=4, H2O):6.5

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

安全信息展开↓

包装等级:
II
风险类别:
8
海关代码:
2925290090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R34:Causes burns.
安全说明:
S26-S36/37/39-S45
危险标志:
C

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

  Nα-Benzoyl-L-argininamide Hydrochloride Monohydrate Revision number: 1
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        Nα-Benzoyl-L-argininamide Hydrochloride Monohydrate    
    
  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
    Not classified
  PHYSICAL HAZARDS
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
    None
  Pictograms or hazard symbols
  Signal word        No signal word    
    None
  Hazard statement
  Precautionary statements        None    

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        Nα-Benzoyl-L-argininamide Hydrochloride Monohydrate    
  Percent:        >98.0%(T)    
    4299-03-0
  CAS Number:
  Chemical Formula:        C13H19N5O2·HCl·H2O    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
    Get medical advice/attention if you feel unwell. Rinse mouth.
  Ingestion:
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
    Take care as it may decompose upon combustion or in high temperatures to
  Specific hazards:
    generate poisonous fume.
    Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
  Specific methods:
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Nα-Benzoyl-L-argininamide Hydrochloride
  Monohydrate

Section 5. FIRE-FIGHTING MEASURES
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.    
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
  Form:        crystal - powder    
  Color:        White - Slightly pale yellow    
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
  Upper:        No data available    
  Density:        No data available    
  Solubility:        No data available    

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Stability:
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
  Products:
  Nα-Benzoyl-L-argininamide Hydrochloride
  Monohydrate

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
    Not Listed
  UN-No:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2925290090

概述:
2925290090 其他亚胺及其衍生物,以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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
摘要/Summary:
2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。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:73.46

2、   摩尔体积(m3/mol):207.7

3、   等张比容(90.2K):573.8

4、   表面张力(dyne/cm):58.2

5、   极化率10-24cm3):29.12

计算化学数据


1、   氢键供体数量:5

2、   氢键受体数量:5

3、   可旋转化学键数量:7

4、   互变异构体数量:8

5、   拓扑分子极性表面积(TPSA):137

6、   重原子数量:21

7、   表面电荷:0

8、   复杂度:360

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:1

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:2

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