|
Refractive_Index:
|
1.528
|
|
Vapor_Pressure:
|
0.9±0.3 mmHg at 25°C
|
|
Flash_Point:
|
87.5±11.7 °C
|
|
LogP:
|
0.32
|
|
Bolling_Point:
|
187.0±9.0 °C at 760 mmHg
|
|
Water_Solubility:
|
SOLUBLE
|
|
PSA:
|
28.68000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 1877 ', '2 . Molar volume 609 ', '3 . Parachor （902K）1610 ', '4 . Surface tension 486 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability 744']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 287 ', '7. Heavy Atom Count :5 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :281 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Melting_Point:
|
67-70 °C(lit.)
|
|
MF:
|
C3H4N2
|
|
Exact_Mass:
|
68.037445
|
|
FW:
|
68.077
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless or White 针状or 棱柱体结晶。有类似吡啶气味，味苦。 ', '2 . Boiling point（ºC,1013kPa）187 ', '3 . Melting point（ºC）68 ', '4 . Refractive index14203 ', '5 . Solubility 能Soluble in Water Ethanol Ethyl ether 苯。']
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