|
Refractive_Index:
|
1.839
|
|
Vapor_Pressure:
|
0.0±2.9 mmHg at 25°C
|
|
Flash_Point:
|
430.0±35.7 °C
|
|
LogP:
|
0.15
|
|
Bolling_Point:
|
787.5±70.0 °C at 760 mmHg
|
|
FW:
|
384.411
|
|
PSA:
|
207.93000
|
|
Computational_Chemistry:
|
['1. XlogP -35 ', '2. Hydrogen Bond Donor Count 5 ', '3. Hydrogen Bond Acceptor Count 11 ', '4. Rotatable Bond Count 7 ', '5. Isotope Atom Count 3 ', '6. TPSA 208 ', '7. Heavy Atom Count 26 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 504 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 5 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
|
|
MF:
|
C14H20N6O5S
|
|
Exact_Mass:
|
384.121582
|
|
Molecular_Structure:
|
['1. Molar refractive index 8897 ', '2. Molar volume 2010 ', '3. Parachor （902K）6295 ', '4. Surface tension 962 ', '5. Dielectric constant N/A ', '6. Polarizability 3527 ', '7. Single isotope mass 384121588 Da ', '8. Nominal mass 384 Da ', '9. Average mass 3844108 Da']
|
|
Density:
|
1.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 簇状结晶 ', '2 . Density（g/mL,25/4℃）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, 52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º，C=13，005mol/L盐酸中 ）+37 ', '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 热Water ，微Soluble in 冷Water Ethanol ，极微Soluble in Ethyl ether 。']
|
