|
FW:
|
290.314
|
|
MF:
|
C15H18N2O4
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|
Refractive_Index:
|
1.549
|
|
Vapor_Pressure:
|
0.0±1.3 mmHg at 25°C
|
|
Bolling_Point:
|
494.0±45.0 °C at 760 mmHg
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|
Exact_Mass:
|
290.126648
|
|
PSA:
|
99.42000
|
|
Computational_Chemistry:
|
['1 . XlogP 22 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 102 ', '7 . Heavy Atom Count 21 ', '8 . Topological Polar Surface Area -1 ', '9 . Complexity 419 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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 755 ', '2. Molar volume 2374 ', '3. Parachor （902K）6419 ', '4. Surface tension 534 ', '5. Dielectric constant N/A ', '6. Polarizability 2993 ', '7. Single isotope mass 290126657 Da ', '8. Nominal mass 290 Da ', '9. Average mass 2903144 Da']
|
|
LogP:
|
2.40
|
|
Melting_Point:
|
152.6ºC
|
|
Flash_Point:
|
252.6±28.7 °C
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White to 灰色Solid 2 . Density（g/mL, 25 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）1526 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 3mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）不适用 ', '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']
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