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Flash_Point:
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89.3ºC
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More_Info:
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['1 . Appearance White 结晶or 结晶性粉末，无臭味苦。 ', '2 . Density（g/cm3,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）223-226 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,2mm）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）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 易Soluble in Water ，在甲醇中溶解，在 Ethanol 中微溶，Insoluble in Ethyl ether and 氯仿。']
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PSA:
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88.99000
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Vapor_Pressure:
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0.0929mmHg at 25°C
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 915 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :132 ', '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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FW:
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165.625
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LogP:
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1.05850
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Bolling_Point:
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224.1ºC at 760 mmHg
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Exact_Mass:
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165.078125
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MF:
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C4H12ClN5
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Melting_Point:
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223-226 °C(lit.)
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Molecular_Structure:
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['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 165078123 Da ', '8. Nominal mass 165 Da ', '9. Average mass 1656246 Da']
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