Chemical Properties of Carbamazepine (CAS 298-46-4)

InChI

InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)

InChI Key

FFGPTBGBLSHEPO-UHFFFAOYSA-N

Formula

C15H12N2O

SMILES

NC(=O)N1c2ccccc2C=Cc2ccccc21

Molecular Weight¹

236.27

CAS

298-46-4

Other Names

• 5-Carbamoyl-5H-Dibenz[b,f]azepine
• 5-Carbamoyl-5H-dibenzo(b,f)azepine
• 5-Carbamoyldibenzo(b,f)azepine
• 5-Carbamyl-5H-dibenzo(b,f)azepine
• 5-Carbamyldibenzo(b,f)azepine
• 5-Carbomoyl-5H-dibenzo(b,f)azepine
• 5H-Dibenz[b,f]azepine-5-carboxamide
• 5H-Dibenz[b,f]azepine-5-carboxamine
• 5H-dibenz[b,f]azepine-5-carboxamide (carbamazepine)
• Amizepin
• Biston
• Calepsin
• Carbamazepen
• Carbamezepine
• Carbatrol
• Carbazepine
• Carbelan
• Epitol
• Equetro
• Finlepsin
• G 32883
• Geigy 32883
• Iminostilbene-N-carboxamide
• Karbamazepin
• Lexin
• NSC 169864
• Neurotol
• Sirtal
• Stazepin
• Stazepine
• Tegretal
• Tegretol
• Telesmin
• Timonil

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• 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
log10WS	[-3.29; -3.08]
log10WS	-3.08		Aq. Sol...
log10WS	-3.29		Rytting...
logPoct/wat	3.387		Crippen Calculated Property
McVol	181.060	ml/mol	McGowan Calculated Property
Inp	[2259.00; 2397.40]
Inp	2310.00		NIST
Inp	2337.00		NIST
Inp	2285.00		NIST
Inp	2340.00		NIST
Inp	Outlier 2397.40		NIST
Inp	2296.00		NIST
Inp	2259.00		NIST
Inp	2259.00		NIST
Inp	2290.00		NIST
Inp	2275.00		NIST
Inp	2310.00		NIST
Inp	2270.00		NIST
Inp	2290.00		NIST
Inp	2290.00		NIST
Inp	2310.00		NIST
Inp	2270.00		NIST
Tfus	[463.74; 466.15]	K
Tfus	463.74	K	Aq. Sol...
Tfus	466.15	K	Solubil...

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Carbamazepine.

Mixtures

• Carbamazepine + Methyl Alcohol
• Carbamazepine + Ethanol
• 1-Propanol + Carbamazepine
• Carbamazepine + Isopropyl Alcohol
• Carbamazepine + 1-Butanol
• Carbamazepine + Tetrahydrofuran
• Carbamazepine + Saccharin + Methyl Alcohol
• Carbamazepine + Methyl Alcohol + Water
• Carbamazepine + Saccharin + Water
• Carbamazepine + Water
• Butanedioic acid + Carbamazepine + Acetone
• Butanedioic acid + Carbamazepine + Ethanol

Sources

• Crippen Method
• Solubility Determination for Carbamazepine and Saccharin in Methanol/Water Mixed Solvent: Basic Data for Design of Cocrystal Production by Antisolvent Crystallization
• Solid Liquid Phase Equilibrium and Phase Diagram for the Ternary Carbamazepine Succinic Acid Ethanol or Acetone System at (298.15 and 308.15) K
• Solubility of Carbamazepine (Form III) in Different Solvents from (275 to 343) K
• Aqueous Solubility Prediction Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.