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Refractive_Index:
|
1.585
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|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
|
Flash_Point:
|
193.3±28.7 °C
|
|
LogP:
|
3.77
|
|
Bolling_Point:
|
396.1±45.0 °C at 760 mmHg
|
|
PSA:
|
47.91000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 7422 ', '2 . Molar volume 2215 ', '3 . Parachor （902K）5555 ', '4 . Surface tension 385 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 2942']
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|
Computational_Chemistry:
|
['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 504 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :288 ', '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']
|
|
Melting_Point:
|
176-178 °C(lit.)
|
|
MF:
|
C15H17N3
|
|
Exact_Mass:
|
239.142242
|
|
FW:
|
239.316
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance White 结晶粉末，无臭，稍有苦味，无毒。 ', '2 相对 . Density（g/mL,20℃）110-102 ', '3 . Melting point（ºC）178～179 ', '4 . Boiling point（ºC, kPa） ', '5 . Critical temperature（ºC）141℃ ', '6 . Solubility Soluble in 氯仿丙酮 Ethanol ，微Soluble in 苯，Insoluble in Water 汽油and 四氯化碳。']
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