3-Hydroxy carbamazepine supplier

Name
3-Hydroxy Carbamazepine
EINECS
CAS No. 68011-67-6
Article Data2
CAS DataBase
Density 1.363 g/cm³
Solubility
Melting Point 240-242°C
Formula C₁₅H₁₂N₂O₂
Boiling Point 487.3 °C at 760 mmHg
Molecular Weight 252.272
Flash Point 248.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hydroxycarbamazepine;3-Hydroxy-5H-dibenz(b,f)azepine-5-carboxamide;3-Hydroxy Carbamazepine;3-Hydroxycarbamazepine;
PSA 66.56000
LogP 3.85810

3-Hydroxy carbamazepine Specification

The 3-Hydroxy carbamazepine, with the CAS registry number 68011-67-6, has the systematic name of 3-hydroxy-5H-dibenzo[b,f]azepine-5-carboxamide. It belongs to the following product categories: Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. And the molecular formula of the chemical is C₁₅H₁₂N₂O₂.

The characteristics of 3-Hydroxy carbamazepine are as followings: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 41.85; (6)ACD/BCF (pH 7.4): 41.77; (7)ACD/KOC (pH 5.5): 503.97; (8)ACD/KOC (pH 7.4): 503.05; (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)Polarizability: 28.37×10^-24cm³; (17)Surface Tension: 66.6 dyne/cm; (18)Density: 1.363 g/cm³; (19)Flash Point: 248.5 °C; (20)Enthalpy of Vaporization: 78.18 kJ/mol; (21)Boiling Point: 487.3 °C at 760 mmHg; (22)Vapour Pressure: 4.04E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N)N3c1ccccc1\C=C/c2c3cc(O)cc2
(2)InChI: InChI=1/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)
(3)InChIKey: QQCFBZCATDIWTH-UHFFFAOYAY

Product Name

3-Hydroxy Carbamazepine

3-Hydroxy carbamazepine Specification

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