2-Hydroxycarbamazepine supplier

Name
2-Hydroxy Carbamazepine
EINECS
CAS No. 68011-66-5
Article Data4
CAS DataBase
Density 1.363 g/cm³
Solubility
Melting Point >205?C (dec.)
Formula C₁₅H₁₂N₂O₂
Boiling Point 499.8 °C at 760 mmHg
Molecular Weight 252.268
Flash Point 256 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-hydroxy-5H-dibenzo[b,f]azepine-5-carboxamide;5H-Dibenz(b,f)azepine-5-carboxamide, 2-hydroxy-;
PSA 66.56000
LogP 3.85810

2-Hydroxycarbamazepine Specification

The 2-Hydroxycarbamazepine, with the CAS registry number 68011-66-5, is also known as 5H-Dibenz(b,f)azepine-5-carboxamide, 2-hydroxy-. It belongs to the product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. This chemical's molecular formula is C₁₅H₁₂N₂O₂and formula weight is 252.268. What's more, its systematic name is 2-hydroxy-5H-dibenzo[b,f]azepine-5-carboxamide. It is used as a metabolite of carbamazepine.

Physical properties of 2-Hydroxycarbamazepine are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 35.13; (6)ACD/BCF (pH 7.4): 35; (7)ACD/KOC (pH 5.5): 444.63; (8)ACD/KOC (pH 7.4): 443.06; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 71.56 cm³; (15)Molar Volume: 185 cm³; (16)Surface Tension: 66.6 dyne/cm; (17)Density: 1.363 g/cm³; (18)Flash Point: 256 °C; (19)Enthalpy of Vaporization: 79.74 kJ/mol; (20)Boiling Point: 499.8 °C at 760 mmHg; (21)Vapour Pressure: 1.3E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)N3c1ccccc1\C=C/c2c3ccc(O)c2
(2)InChI: InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)
(3)InChIKey: VPZIYMMSJFWLSP-UHFFFAOYSA-N

Product Name

2-Hydroxy Carbamazepine

2-Hydroxycarbamazepine Specification

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