5H-Dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-, (10R)- supplier

Name
R-10-MONOHYDROXY-DIHYDRO-CARBAMAZEPIN
EINECS
CAS No. 104746-03-4
Article Data5
CAS DataBase
Density 1.336 g/cm³
Solubility
Melting Point 190-192°C
Formula C₁₅H₁₄N₂O₂
Boiling Point 431.275 °C at 760 mmHg
Molecular Weight 254.288
Flash Point 214.628 °C
Transport Information
Appearance off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5H-Dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-, (R)-;(R)-(-)-10,11-Dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxamide;(R)-Licarbazepine;CGP 13698;
PSA 66.56000
LogP 3.25820

5H-Dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-, (10R)- Specification

This chemical is called 5H-Dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-, (10R)-, and its systematic name is (10R)-10-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide. With the molecular formula of C₁₅H₁₄N₂O₂, its molecular weight is 254.28. The CAS registry number of this chemical is 104746-03-4. Additionally, its product categories are Chiral Reagents; Metabolites.

Other characteristics of the 5H-Dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-, (10R)- can be summarised as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 77; (8)ACD/KOC (pH 7.4): 77; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.56 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 71.672 cm³; (15)Molar Volume: 190.279 cm³; (16)Polarizability: 28.413×10^-24cm³; (17)Surface Tension: 65.245 dyne/cm; (18)Density: 1.336 g/cm³; (19)Flash Point: 214.628 °C; (20)Enthalpy of Vaporization: 72.403 kJ/mol; (21)Boiling Point: 431.275 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N)N3c1ccccc1C[C@@H](O)c2c3cccc2
2.InChI: InChI=1/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m1/s1
3.InChIKey: BMPDWHIDQYTSHX-CQSZACIVBK

Product Name

R-10-MONOHYDROXY-DIHYDRO-CARBAMAZEPIN

5H-Dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-, (10R)- Specification

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