Chemical Properties of Citalopram, nor, acetyl

Citalopram, nor, acetyl

InChI
InChI=1S/C21H21FN2O2/c1-15(25)24(2)11-3-10-21(18-5-7-19(22)8-6-18)20-9-4-16(13-23)12-17(20)14-26-21/h4-9,12H,3,10-11,14H2,1-2H3
InChI Key
XSYWUOFETHDSCD-UHFFFAOYSA-N
Formula
C21H21FN2O2
SMILES
CC(=O)N(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
Molecular Weight1
352.40
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Physical Properties

Property Value Unit Source
ΔfusH° 46.08 kJ/mol Joback Calculated Property
logPoct/wat 3.730 Crippen Calculated Property
McVol 268.940 ml/mol McGowan Calculated Property
Inp 2820.00 NIST

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 [851.69; 963.97] J/mol×K [949.77; 1187.01] Show Hide
Cp,gas 851.69 J/mol×K 949.77 Joback Calculated Property
Cp,gas 869.03 J/mol×K 989.31 Joback Calculated Property
Cp,gas 886.61 J/mol×K 1028.85 Joback Calculated Property
Cp,gas 904.66 J/mol×K 1068.39 Joback Calculated Property
Cp,gas 923.41 J/mol×K 1107.93 Joback Calculated Property
Cp,gas 943.11 J/mol×K 1147.47 Joback Calculated Property
Cp,gas 963.97 J/mol×K 1187.01 Joback Calculated Property

Similar Compounds

Citalopram. Citalopram, bis-nor, acetyl. (S)?-??N-?Desmethylcitalopram. 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. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Ibogaine. Cialis. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Yohimbine. QUINIDINE, AC. 2-Hydroxy-2-phenylethylamine, ferrocenylboronate. QUINIDINE, M(N-OXIDE), AC. Acetylsenecivernine. TCN.

Find more compounds similar to Citalopram, nor, acetyl.

Sources

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