|
Refractive_Index:
|
1.793
|
|
Vapor_Pressure:
|
0.0±1.4 mmHg at 25°C
|
|
Flash_Point:
|
308.2±18.1 °C
|
|
LogP:
|
-1.01
|
|
Bolling_Point:
|
530.8±53.0 °C at 760 mmHg
|
|
Water_Solubility:
|
36.5 g/L (20 ºC)
|
|
PSA:
|
103.84000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3514 ', '2 . Molar volume 827 ', '3 . Parachor （902K）2730 ', '4 . Surface tension 1187 ', '5 . Dielectric constant 不可用 ', '6 偶极距（10-24cm3）不可用 ', '7 . Polarizability 1393']
|
|
Computational_Chemistry:
|
['1. XlogP :-08 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :10 ', '6. TPSA 104 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :85 ', '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:
|
249-251 °C(lit.)
|
|
MF:
|
C4H7N5
|
|
Exact_Mass:
|
125.070145
|
|
FW:
|
125.132
|
|
Density:
|
1.5±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 针状晶体or White 粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）250~253 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,23mmHg）Unknow ', '7 . Refractive index(n 20/D) Unknow ', '8 . Flash point（ºC）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 易Soluble in Water ，Water 溶性365g/L（20℃），难Soluble in 醇and 醚。Water 溶液呈碱性。']
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