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CAS No.: | 357399-43-0 |
---|---|
Name: | BUPROPION MORPHOLINOL |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C13H18ClNO2 |
Molecular Weight: | 255.744 |
Synonyms: | Hydroxy Bupropion; |
Density: | 1.144 g/cm3 |
Melting Point: | 121-123°C |
Boiling Point: | 386.574 °C at 760 mmHg |
Flash Point: | 187.594 °C |
PSA: | 41.49000 |
LogP: | 2.60080 |
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The 2-Morpholinol,2-(3-chlorophenyl)-3,5,5-trimethyl-, with the CAS registry number of 357399-43-0, is also known as Hydroxy Bupropion. Its molecular formula is C13H18ClNO2 and molecular weight is 255.74. What's more, its systematic name is 2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-ol.
Physical properties about the 2-Morpholinol,2-(3-chlorophenyl)-3,5,5-trimethyl- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 215; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.49 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 68.265 cm3; (15)Molar Volume: 223.489 cm3; (16)Surface Tension: 39.516 dyne/cm; (17)Density: 1.144 g/cm3; (18)Flash Point: 187.594 °C; (19)Enthalpy of Vaporization: 67.033 kJ/mol; (20)Boiling Point: 386.574 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc(c1)C2(O)OCC(NC2C)(C)C
(2) InChI: InChI=1/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3
(3) InChIKey: RCOBKSKAZMVBHT-UHFFFAOYAG