ChemSpider 2D Image | Didesmethylcitalopram | C18H17FN2O

Didesmethylcitalopram

  • Molecular FormulaC18H17FN2O
  • Average mass296.339 Da
  • Monoisotopic mass296.132477 Da
  • ChemSpider ID23935928
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S)-1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile [ACD/IUPAC Name]
(1S)-1-(3-Aminopropyl)-1-(4-fluorophényl)-1,3-dihydro-2-benzofurane-5-carbonitrile [French] [ACD/IUPAC Name]
(1S)-1-(3-Aminopropyl)-1-(4-fluorphenyl)-1,3-dihydro-2-benzofuran-5-carbonitril [German] [ACD/IUPAC Name]
5-Isobenzofurancarbonitrile, 1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-, (1S)- [ACD/Index Name]
Didesmethylcitalopram [Wiki]
DIDESMETHYLESCITALOPRAM
(S)-DIDEMETHYL CITALOPRAM
166037-78-1 [RN]
UNII:JM43W5556T
UNII-JM43W5556T

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 433.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.7±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.84
Polar Surface Area: 59 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 237.4±5.0 cm3

Click to predict properties on the Chemicalize site





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