Chemical Properties of Citalopram

Citalopram

InChI
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
InChI Key
WSEQXVZVJXJVFP-UHFFFAOYSA-N
Formula
C20H21FN2O
SMILES
CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
Molecular Weight1
324.40
Other Names
  • 1-[3-(Dimethylamino)propyl]-1-(p-fluorophenyl)-5-phthalancarbonitrile
  • 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-
  • Bonitrile
  • Celexa
  • LU-10-171
  • Nitalapram
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 41.89 kJ/mol Joback Calculated Property
logPoct/wat 3.813 Crippen Calculated Property
McVol 253.280 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [778.18; 882.05] J/mol×K [873.02; 1106.65] Show Hide
Cp,gas 778.18 J/mol×K 873.02 Joback Calculated Property
Cp,gas 795.08 J/mol×K 911.96 Joback Calculated Property
Cp,gas 811.84 J/mol×K 950.90 Joback Calculated Property
Cp,gas 828.70 J/mol×K 989.84 Joback Calculated Property
Cp,gas 845.87 J/mol×K 1028.77 Joback Calculated Property
Cp,gas 863.58 J/mol×K 1067.71 Joback Calculated Property
Cp,gas 882.05 J/mol×K 1106.65 Joback Calculated Property

Similar Compounds

Citalopram, nor, acetyl. (S)?-??N-?Desmethylcitalopram. Citalopram, bis-nor, acetyl. 7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Cialis. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Ibogaine. risperidone. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Yohimbine. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 2-Hydroxy-2-phenylethylamine, ferrocenylboronate. QUINIDINE, M(N-OXIDE), AC. QUINIDINE, AC.

Find more compounds similar to Citalopram.

Sources

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.