|
Refractive_Index:
|
1.601
|
|
Flash_Point:
|
364ºC
|
|
LogP:
|
2.69180
|
|
Bolling_Point:
|
678.3ºC at 760 mmHg
|
|
FW:
|
395.45200
|
|
PSA:
|
71.11000
|
|
Computational_Chemistry:
|
['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :3 ', '6. TPSA 711 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :593 ', '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']
|
|
MF:
|
C22H25N3O4
|
|
Exact_Mass:
|
395.18500
|
|
Molecular_Structure:
|
['1 . Molar refractive index 10867 ', '2 . Molar volume 3171 ', '3 . Parachor （902K）8439 ', '4 . Surface tension 501 ', '5 . Polarizability 4308']
|
|
Density:
|
1.246g/cm3
|
|
More_Info:
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['1. Appearance 从 Ethanol -氯仿得Colourless 颗粒状结晶。 ', '2. Melting point2381-2395℃也有无臭无味的淡Yellow 结晶性粉末,. Melting point2381-2398℃ ', '3UV最大吸收(甲醇， Ethanol ，氯仿)271nm(ε25100，25200，23000，C=10μg/m1)。 ', '4溶解度%(25℃)冰醋酸1868,氯仿1419,苄醇5913,N-甲基-2-吡咯啉酮3407,二甲亚砜2509,环丁砜1229,二甲基甲酰胺1179,二氧六环01653,甲醇01151,丙酮006389, Ethanol 004005,Water 0002086。 ', '5pKa 286。']
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