1,3-二氨基丙酮二盐酸盐一水

  • 基本信息
  • 物化性质
  • MSDS
  • 结构与计算化学

1,3-二氨基丙酮二盐酸盐一水 基本信息

中文名称:
1,3-二氨基丙酮二盐酸盐一水 
中文别名:
1,3-二氨基丙酮 二盐酸盐 一水合物;
1,3-二氨基乙酮双盐酸盐水合物 
英文名称:
1,3-diaminopropan-2-one,hydrate,dihydrochloride
英文别名:
1,3-diaminopropan-2-one,hydrate,dihydrochloride;
1,3-Diaminoacetone dihydrochloride monohydrate 
CAS No.:
207226-24-2
分 子 式:
C3H12Cl2N2O2
分 子 量:
179.04600
精确分子量:
178.02800
PSA:
78.34000
MDL:
MFCD00066966
EINECS:
263-230-2
BRN:
3707552
分子结构式:
SDS:
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1,3-二氨基丙酮二盐酸盐一水 物化性质

熔点:
179ºC (dec.)(lit.)
其它信息:

1.      性状:浅米色结晶

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):180

5.      沸点(ºC,常压):未确定

6.      沸点(ºC51mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

1,3-二氨基丙酮二盐酸盐一水 MSDS

    Version 1.2
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        1,3-DIAMINOACETONE DIHYDROCHLORIDE    
    MONOHYDRATE

    2 - Hazards Identification

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    1,3-DIAMINOACETONE        61798-04-7 263-230-2 None    
    DIHYDROCHLORIDE MONOHYDRATE
    Formula        C3H8N2O.2ClH    
    Molecular Weight 179,0000 AMU
    Synonyms        Diamino-acetone dihydrochloride *    
    1,3-Diamino-2-propanone dihydrochloride

    4 - First Aid Measures

    5 - Fire Fighting Measures

    6 - Accidental Release Measures

    7 - Handling and Storage

    8 - Exposure Controls / Personal Protection

    9 - Physical and Chemical Properties

    Appearance        Color: Slightly beige    
    Form: Fine crystals
    FLUKA        www.molbase.com    
    Property        Value        At Temperature or Pressure    
    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        180,000 °C    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    

    10 - Stability and Reactivity

    11 - Toxicological Information

    RTECS NUMBER: UC1425700

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    14 - Transport Information

    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.

    15 - Regulatory Information

    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification

    16 - Other Information
    FLUKA        www.molbase.com    

    WARRANTY
    The above information is believed to be correct but does not
    purport to be all inclusive and shall be used only as a guide. The
    information in this document is based on the present state of our
    knowledge and is applicable to the product with regard to
    appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Inc.,
    shall not be held liable for any damage resulting from handling or
    from contact with the above product. See reverse side of invoice
    or packing slip for additional terms and conditions of sale.
    Copyright 2010 Co. License granted to make
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    FLUKA        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

1,3-二氨基丙酮二盐酸盐一水 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):无

2.氢键供体数量:5

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积70.1

7.重原子数量:9

8.表面电荷:0

9.复杂度:46.8

10.同位素原子数量:0

11.确定原子立构中心数量:0

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:4

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