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Molecular_Structure:
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['1. Molar refractive index 10497 ', '2. Molar volume 3018 ', '3. Parachor （902K）8435 ', '4. Surface tension 609 ', '5. Dielectric constant N/A ', '6. Polarizability 4161 ', '7. Single isotope mass 397163771 Da ', '8. Nominal mass 397 Da ', '9. Average mass 3974244 Da']
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Flash_Point:
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359.9±31.5 °C
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Refractive_Index:
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1.612
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FW:
|
397.424
|
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Density:
|
1.3±0.1 g/cm3
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Bolling_Point:
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671.5±55.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :6 ', '6. TPSA 131 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :577 ', '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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LogP:
|
2.70
|
|
Melting_Point:
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168-175ºC
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|
PSA:
|
130.75000
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MF:
|
C21H23N3O5
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More_Info:
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['1 . Appearance White 粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive index-10º（C=1，DMF） ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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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Vapor_Pressure:
|
0.0±2.2 mmHg at 25°C
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|
Exact_Mass:
|
397.163757
|
