|
FW:
|
225.249
|
|
MF:
|
C12H11N5
|
|
Refractive_Index:
|
1.731
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
|
Bolling_Point:
|
387.5±52.0 °C at 760 mmHg
|
|
Exact_Mass:
|
225.101440
|
|
PSA:
|
66.49000
|
|
Vapor_Density:
|
>1 (vs air)
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :8 ', '6. TPSA 665 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :241 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6689 ', '2 . Molar volume 1617 ', '3 . Parachor （902K）4841 ', '4 . Surface tension :803 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 2652']
|
|
LogP:
|
0.28
|
|
Melting_Point:
|
230-233 °C
|
|
Flash_Point:
|
188.1±30.7 °C
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 针状结晶。 ', '2 . Density（g/mL,20℃）0899 ', '3 . Relative vapor density（g/mL,Atmosphere =1）14 ', '4 . Melting point（ºC）230～232 ', '5 . Boiling point（ºC,Atmospheric pressure）145 ', '6 . Boiling point（ºC,02mmHg）Unknow ', '7 . Refractive index（n20/D）1418 ', '8 . Flash point（ºF）103 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）33 ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 难Soluble in Water and 一般有机溶剂，能Soluble in 热 Ethanol 中，稍Soluble in 热Water 中，易Soluble in 稀酸稀碱Water 溶液。在酸碱中稳定。']
|
