ChemSpider 2D Image | 1-[3-(Dimethylamino)propyl]-1-[4-fluoro(~2~H_4_)phenyl]-1,3-dihydro-2-benzofuran-5-carbonitrile | C20H17D4FN2O

1-[3-(Dimethylamino)propyl]-1-[4-fluoro(2H4)phenyl]-1,3-dihydro-2-benzofuran-5-carbonitrile

  • Molecular FormulaC20H17D4FN2O
  • Average mass328.417 Da
  • Monoisotopic mass328.188904 Da
  • ChemSpider ID48057966
  • Non-standard isotope - Non-standard isotope


More details:






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

1-[3-(Dimethylamino)propyl]-1-[4-fluor(2H4)phenyl]-1,3-dihydro-2-benzofuran-5-carbonitril [German] [ACD/IUPAC Name]
1-[3-(Dimethylamino)propyl]-1-[4-fluoro(2H4)phenyl]-1,3-dihydro-2-benzofuran-5-carbonitrile [ACD/IUPAC Name]
1-[3-(Diméthylamino)propyl]-1-[4-fluoro(2H4)phényl]-1,3-dihydro-2-benzofurane-5-carbonitrile [French] [ACD/IUPAC Name]
5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl-2,3,5,6-d4)-1,3-dihydro- [ACD/Index Name]
1-[3-(dimethylamino)propyl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
1219908-84-5 [RN]
citalopram-d4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 428.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.8±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 12.59
Polar Surface Area: 36 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 272.6±5.0 cm3

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