|
FW:
|
164.247
|
|
MF:
|
C10H16N2
|
|
Water_Solubility:
|
slightly in cold, more in hot water
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Flash_Point:
|
104.9±7.7 °C
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|
Refractive_Index:
|
1.578
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Bolling_Point:
|
260.6±13.0 °C at 760 mmHg
|
|
Exact_Mass:
|
164.131348
|
|
PSA:
|
6.48000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 65 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :108 ', '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']
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|
Molecular_Structure:
|
['1. Molar refractive index 5487 ', '2. Molar volume 1654 ', '3. Parachor （902K）4113 ', '4. Surface tension 382 ', '5. Dielectric constant N/A ', '6. Polarizability 2175 ', '7. Single isotope mass 164131349 Da ', '8. Nominal mass 164 Da ', '9. Average mass 1642474 Da']
|
|
LogP:
|
2.08
|
|
Melting_Point:
|
49-51 °C(lit.)
|
|
Density:
|
1.0±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 棕色Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）49-51 ', '5 . Boiling point（ºC,Atmospheric pressure）260 ', '6 . Boiling point（ºC,266kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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 微Soluble in 冷Water ，易Soluble in 热Water ，易Soluble in Ethanol 氯仿 Ethyl ether and 石油醚。']
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