ChemSpider 2D Image | 1-(4-Fluorophenyl)-1-(3-{methyl[(~3~H_3_)methyl]amino}propyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | C20H18T3FN2O

1-(4-Fluorophenyl)-1-(3-{methyl[(3H3)methyl]amino}propyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

  • Molecular FormulaC20H18T3FN2O
  • Average mass330.416 Da
  • Monoisotopic mass330.188477 Da
  • ChemSpider ID5257505
  • Non-standard isotope - Non-standard isotope


More details:






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

1-(4-Fluorophenyl)-1-(3-{methyl[(3H3)methyl]amino}propyl)-1,3-dihydro-2-benzofuran-5-carbonitrile [ACD/IUPAC Name]
1-(4-Fluorophényl)-1-(3-{méthyl[(3H3)méthyl]amino}propyl)-1,3-dihydro-2-benzofurane-5-carbonitrile [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-1-(3-{methyl[(3H3)methyl]amino}propyl)-1,3-dihydro-2-benzofuran-5-carbonitril [German] [ACD/IUPAC Name]
5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylmethyl-t3-amino)propyl]- [ACD/Index Name]
CITALOPRAM, [N-METHYL-3H]-

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

MLS000028578 [DBID]
SMR000058948 [DBID]

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

Density:
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:
Molar Refractivity:
#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:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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