|
FW:
|
154.130
|
|
MF:
|
C4H6N6O
|
|
Refractive_Index:
|
1.964
|
|
Vapor_Pressure:
|
0.0±1.7 mmHg at 25°C
|
|
Bolling_Point:
|
602.9±65.0 °C at 760 mmHg
|
|
Exact_Mass:
|
154.060303
|
|
PSA:
|
133.27000
|
|
Computational_Chemistry:
|
['1. XlogP :-09 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :15 ', '6. TPSA 133 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :140 ', '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 3418 ', '2 . Molar volume （m3/mol）700 ', '3 . Parachor （902K）2404 ', '4 . Surface tension 1384 ', '5 . Dielectric constant 不可用 ', '6 偶极距（10 -24cm 3）不可用 ', '7 . Polarizability 1355']
|
|
LogP:
|
-0.98
|
|
Melting_Point:
|
300 °C
|
|
Flash_Point:
|
318.4±34.3 °C
|
|
Density:
|
2.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Solid 。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）300 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,6mmHg）Unknow ', '7 . Refractive index(n 20/D) Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '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 Unknow']
|
