|
FW:
|
199.252
|
|
Refractive_Index:
|
1.589
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Flash_Point:
|
148.6±23.7 °C
|
|
LogP:
|
0.44
|
|
Bolling_Point:
|
322.2±27.0 °C at 760 mmHg
|
|
More_Info:
|
['1 . Appearance Unknow。 ', '2 . Density(g/mL,25/4℃) 1107 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)139-141 ', '6 . Boiling point(ºC,52kPa) Unknow ', '7 . Refractive index 1578 ', '8 . Flash point(ºC) 113 ', '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']
|
|
Computational_Chemistry:
|
['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 378 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :154 ', '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']
|
|
MF:
|
C12H13N3
|
|
Exact_Mass:
|
199.110947
|
|
Molecular_Structure:
|
['1 . Molar refractive index 6006 ', '2 . Molar volume (m3/mol)1782 ', '3 . Parachor (902K)4722 ', '4 . Surface tension : 493 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 2381']
|
|
Density:
|
1.1±0.1 g/cm3
|
|
PSA:
|
37.81000
|