3A-氨基-3A-脱氧-(2AS,3AS)-γ-环糊精水合物

3A-氨基-3A-脱氧-(2AS,3AS)-γ-环糊精水合物 基本信息
CAS号 189307-64-0 分子式 C48H83NO40
分子量 1314.16000 精确质量  1313.45000
PSA  648.22000 LogP  -16.80400

基本信息 展开↓

CAS号:
189307-64-0
分子式:
C48H83NO40
分子量:
1314.16000
中文名称:
3A-氨基-3A-脱氧-(2AS,3AS)-γ-环糊精水合物
英文名称:
3A-Amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin
中文别名:
3A-氨基-3A-脱氧-(2AS,3AS)-γ-环糊精水合物;
3A-氨基-3A-脱氧-(2AS,3AS)-Γ-环糊精水合物
英文别名:
3A-Amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin;
3A-Amino-3A-deoxy-(2AS,3AS)-gamma-cyclodextrin Hydrate;
3A-Amino-3A-deoxy-(2AS,3AS)-gamma-cyclodextrin;
3A-AMino-3A-deoxy-(2AS,3AS)-gaMMa-cyclodextrin 
精确分子量/精确质量:
1313.45000
极性分子表面积/PSA:
648.22000
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。

物化性质展开↓

密度:
1.602g/cm3
折射率:
1.587

MSDS 展开↓

  3A-Amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin Hydrate Revision number: 1
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        3A-Amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin Hydrate    
             
    1
  Revision number:

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

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
    3A-Amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin Hydrate
  Component(s):
  Percent:        >97.0%(LC)    
  CAS Number:        189307-64-0    
  Chemical Formula:        C48H81NO39·xH2O    

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.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing    
    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.
  Hydrate

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

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  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.
    Avoid contact with skin, eyes and clothing.
  Advice on safe handling:
  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.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  Products:
  Hydrate

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

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  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    
  UN-No:        Not Listed    

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

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):-17.4

2.氢键供体数量:24

3.氢键受体数量:40

4.可旋转化学键数量:8

5.互变异构体数量:无

6.拓扑分子极性表面积639

7.重原子数量:88

8.表面电荷:0

9.复杂度:2160

10.同位素原子数量:0

11.确定原子立构中心数量:40

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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