|
MF:
|
C7H17ClN4O2
|
|
Bolling_Point:
|
414.1±55.0 °C at 760 mmHg
|
|
Exact_Mass:
|
188.127319
|
|
More_Info:
|
['1 . Appearance White 粉末。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）213-215 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '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 Soluble in Water 。']
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|
Melting_Point:
|
213-215 °C(lit.)
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|
PSA:
|
125.22000
|
|
Flash_Point:
|
204.2±31.5 °C
|
|
Refractive_Index:
|
1.587
|
|
Density:
|
1.4±0.1 g/cm3
|
|
Molecular_Structure:
|
['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 224104004 Da ', '8. Nominal mass 224 Da ', '9. Average mass 2246885 Da']
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|
Computational_Chemistry:
|
['1 . Hydrogen Bond Donor Count 5 ', '2 . Hydrogen Bond Acceptor Count 6 ', '3 . Rotatable Bond Count 6 ', '4 . Isotope Atom Count 2 ', '5 . TPSA 128 ', '6 . Heavy Atom Count 14 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 189 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 2']
|
|
FW:
|
188.227
|
|
LogP:
|
-1.36
|
|
Vapor_Pressure:
|
0.0±2.1 mmHg at 25°C
|
