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FW:
|
426.553
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MF:
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C20H38N6O4
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Water_Solubility:
|
可溶
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Refractive_Index:
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1.557
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Exact_Mass:
|
426.295441
|
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PSA:
|
166.27000
|
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Computational_Chemistry:
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['1 . XlogP 04 ', '2 . Hydrogen Bond Donor Count 6 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 14 ', '5 . Isotope Atom Count 32 ', '6 . TPSA 170 ', '7 . Heavy Atom Count 30 ', '8 . Topological Polar Surface Area 1 ', '9 . Complexity 602 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 3 ', '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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Density:
|
1.2±0.1 g/cm3
|
|
LogP:
|
1.16
|
|
Molecular_Structure:
|
['1. Molar refractive index 11324 ', '2. Molar volume 3515 ', '3. Parachor （902K）905 ', '4. Surface tension 439 ', '5. Dielectric constant N/A ', '6. Polarizability 4489 ', '7. Single isotope mass 426295454 Da ', '8. Nominal mass 426 Da ', '9. Average mass 4265535 Da']
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More_Info:
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['1 . Appearance White or 灰White 粉末 ', '2 . Density（g/mL,25℃）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，004mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）-76 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,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 Water ']
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