ChemSpider 2D Image | 3-[5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanaminium | C20H22FN2O

3-[5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanaminium

  • Molecular FormulaC20H22FN2O
  • Average mass325.399 Da
  • Monoisotopic mass325.171082 Da
  • ChemSpider ID21258745

  • Charge - Charge

More details:

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

3-[5-Cyan-1-(4-fluorphenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanaminium [German] [ACD/IUPAC Name]
3-[5-Cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanaminium [ACD/IUPAC Name]
3-[5-Cyano-1-(4-fluorophényl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-diméthyl-1-propanaminium [French] [ACD/IUPAC Name]
5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, conjugate monoacid [ACD/Index Name]
3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium
  • Miscellaneous

    • Chemical Class:

      An ammonium ion resulting from the protonation of the tertiary amino group of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile. ChEBI CHEBI:77408

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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: 37 Å2
Polarizability:
Surface Tension:
Molar Volume:

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