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Bolling_Point:
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352.8ºC at 760 mmHg
|
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Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 287257277Da ', '8. Nominal mass 287Da ', '9. Average mass 2874414Da']
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LogP:
|
4.67220
|
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More_Info:
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['1 . Appearance Colourless 结晶 ', '2 . Density（g/mL, ,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）136 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 100mmHg）Unknow ', '7 . Refractive index（nD20）Unknow ', '8 . Flash point（ºC）>100 ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 0ºC）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 Soluble in Water and 醇']
|
|
MF:
|
C15H33N3O2
|
|
Computational_Chemistry:
|
['1 . XlogP ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 1 ', '6 . TPSA 102 ', '7 . Heavy Atom Count 20 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 194 ', '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 2']
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|
Melting_Point:
|
136°C
|
|
PSA:
|
99.20000
|
|
Flash_Point:
|
>100 °C
|
|
FW:
|
287.441
|
|
Exact_Mass:
|
287.257263
|
|
Vapor_Pressure:
|
5.73E-09mmHg at 25°C
|
