2-Morpholinol,2-(3-chlorophenyl)-3,5,5-trimethyl- supplier

Name
BUPROPION MORPHOLINOL
EINECS
CAS No. 357399-43-0
Article Data7
CAS DataBase
Density 1.144 g/cm³
Solubility
Melting Point 121-123°C
Formula C₁₃H₁₈ClNO₂
Boiling Point 386.574 °C at 760 mmHg
Molecular Weight 255.744
Flash Point 187.594 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydroxy Bupropion;
PSA 41.49000
LogP 2.60080

2-Morpholinol,2-(3-chlorophenyl)-3,5,5-trimethyl- Specification

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

Product Name

BUPROPION MORPHOLINOL

2-Morpholinol,2-(3-chlorophenyl)-3,5,5-trimethyl- Specification

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