Chemical Properties of Oxcarbazepine (CAS 28721-07-5)

InChI

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

InChI Key

CTRLABGOLIVAIY-UHFFFAOYSA-N

Formula

C15H12N2O2

SMILES

NC(=O)N1c2ccccc2CC(=O)c2ccccc21

Molecular Weight¹

252.27

CAS

28721-07-5

Other Names

• 10,11-Dihydro-10-oxo-5H-dibenz[b,f]azepin-5-carbonsaeureamid
• 10,11-Dihydro-10-oxo-5H-dibenz[b,f]azepine-5-carboxamide
• 10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
• 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-oxo-
• GP-47680
• Oxacarbazepine
• Trileptal

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	2.642		Crippen Calculated Property
McVol	186.930	ml/mol	McGowan Calculated Property
Inp	[2490.40; 2490.40]
Inp	2490.40		NIST
Inp	2490.40		NIST
Tfus	485.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Oxcarbazepine.

Mixtures

• Carbon dioxide + Oxcarbazepine
• Methyl Alcohol + Oxcarbazepine
• Ethanol + Oxcarbazepine
• 1-Propanol + Oxcarbazepine
• 2-Propanol + Oxcarbazepine
• 1-Butanol + Oxcarbazepine
• Tetrahydrofuran + Oxcarbazepine
• Acetone + Oxcarbazepine
• Acetonitrile + Oxcarbazepine

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
• Experimental investigation and modeling of the solubility of oxcarbazepine (an anticonvulsant agent) in supercritical carbon dioxide
• Solubility of oxcarbazepine in eight solvents within the temperature range T = (288.15 308.15) K
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.