Chemical Properties of Carbamazepine 10,11-epoxide (CAS 36507-30-9)

InChI

InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)

InChI Key

ZRWWEEVEIOGMMT-UHFFFAOYSA-N

Formula

C15H12N2O2

SMILES

NC(=O)N1c2ccccc2C2OC2c2ccccc21

Molecular Weight¹

252.27

CAS

36507-30-9

Other Names

• 6H-Dibenz[b,f]oxireno[d]azepine-6-carboxamide, 1a,10b-dihydro-
• Carbamazepine 10,11-oxide
• 1a,10b-Dihydro-6H-dibenz(b,f)oxireno(d)azepine-6-carboxamide
• 10,11-Epoxycarbamazepine
• GP 49-023
• Carbamazepine epoxide

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Carbamazepine 10,11-epoxide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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