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Molecular_Structure:
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['1. Molar refractive index 9641 ', '2. Molar volume 2944 ', '3. Parachor （902K）7482 ', '4. Surface tension 417 ', '5. Dielectric constant N/A ', '6. Polarizability 3822 ', '7. Single isotope mass 325179027Da ', '8. Nominal mass 325Da ', '9. Average mass 3254048Da']
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LogP:
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5.42660
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Flash_Point:
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265.7ºC
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FW:
|
325.40500
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Bolling_Point:
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515.8ºC at 760mmHg
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Computational_Chemistry:
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['1 . XlogP 51 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count ', '6 . TPSA 653 ', '7 . Heavy Atom Count 24 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 399 ', '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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Melting_Point:
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173-175 °C
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PSA:
|
65.26000
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MF:
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C19H23N3O2
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|
More_Info:
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['1 . Appearance 深紫红色结晶性粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）173-175 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,29mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 96% Ethanol and 乙酸，几乎Insoluble in Water 。']
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Vapor_Pressure:
|
1.83E-11mmHg at 25°C
|
|
Exact_Mass:
|
325.17900
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