ChemSpider 2D Image | 4-Fluoro-3-({methyl[2-(1-pyrrolidinyl)benzyl]amino}methyl)benzonitrile | C20H22FN3

4-Fluoro-3-({methyl[2-(1-pyrrolidinyl)benzyl]amino}methyl)benzonitrile

  • Molecular FormulaC20H22FN3
  • Average mass323.407 Da
  • Monoisotopic mass323.179779 Da
  • ChemSpider ID21944708

More details:

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

4-Fluor-3-({methyl[2-(1-pyrrolidinyl)benzyl]amino}methyl)benzonitril [German] [ACD/IUPAC Name]
4-Fluoro-3-({methyl[2-(1-pyrrolidinyl)benzyl]amino}methyl)benzonitrile [ACD/IUPAC Name]
4-Fluoro-3-({méthyl[2-(1-pyrrolidinyl)benzyl]amino}méthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-fluoro-3-[[methyl[[2-(1-pyrrolidinyl)phenyl]methyl]amino]methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.3±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 94.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 3.84
ACD/KOC (pH 5.5): 26.40
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 180.77
ACD/KOC (pH 7.4): 1242.80
Polar Surface Area: 30 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 272.5±5.0 cm3

Click to predict properties on the Chemicalize site


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