Chemical Properties of Carbamazepine, M (formyl-acridine)

Carbamazepine, M (formyl-acridine)

InChI
InChI=1S/C15H11NO/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-11H
InChI Key
PFWIZLGRDVDFQK-UHFFFAOYSA-N
Formula
C15H11NO
SMILES
O=CN1c2ccccc2C=Cc2ccccc21
Molecular Weight1
221.25
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Physical Properties

Property Value Unit Source
ω 0.5577 Relay (1.0) Calculated Property
ΔfG° 246.94 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 176.86 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 93.86 kJ/mol Relay (1.0) Calculated Property
IE 7.61 eV Relay (1.0) Calculated Property
log10WS -3.95 Relay (1.0) Calculated Property
logPoct/wat 3.465 Crippen Calculated Property
McVol 171.080 ml/mol McGowan Calculated Property
Pc 4263.39 kPa Relay (1.0-beta) Calculated Property
Inp 2025.00 NIST
Tboil 659.65 K Relay (1.0) Calculated Property
Tc 982.47 K Relay (1.0) Calculated Property
Tfus 407.89 K Relay (1.0) Calculated Property
Vc 0.611 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Carbamazepine. Carbamazepine, M(HO-ring), AC. Imipramine M(Dehydro-ring). Carbamazepine, M(HO-methoxy-ring), AC. Opipramol. 5H-Dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-hydroxy-. 3'-dihydrocinnamoylindicine. Dibenzepin M(bis-Nor), acetylated. Aflatoxin B1. Poligodial + o-Tyr (ethyl ester) adduct (R,S). Poligodial + p-Tyr (ethyl ester) adduct (S). Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 1. Poligodial + p-Tyr (ethyl ester) adduct (S), acetylated, # 2. Norhydrocodone. 3'-cis-cinnamoylindicine.

Find more compounds similar to Carbamazepine, M (formyl-acridine).

Sources

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