ChemSpider 2D Image | {[4-(3-Fluorophenyl)-2-butanyl](methyl)amino}acetonitrile | C13H17FN2

{[4-(3-Fluorophenyl)-2-butanyl](methyl)amino}acetonitrile

  • Molecular FormulaC13H17FN2
  • Average mass220.286 Da
  • Monoisotopic mass220.137573 Da
  • ChemSpider ID35172510

More details:

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

{[4-(3-Fluorophenyl)-2-butanyl](methyl)amino}acetonitrile [ACD/IUPAC Name]
{[4-(3-Fluorophényl)-2-butanyl](méthyl)amino}acétonitrile [French] [ACD/IUPAC Name]
{[4-(3-Fluorphenyl)-2-butanyl](methyl)amino}acetonitril [German] [ACD/IUPAC Name]
Acetonitrile, 2-[[3-(3-fluorophenyl)-1-methylpropyl]methylamino]- [ACD/Index Name]
2-{[4-(3-FLUOROPHENYL)BUTAN-2-YL](METHYL)AMINO}ACETONITRILE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 329.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 152.9±23.7 °C
Index of Refraction: 1.508
Molar Refractivity: 62.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 24.29
ACD/KOC (pH 5.5): 307.98
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.74
ACD/KOC (pH 7.4): 440.39
Polar Surface Area: 27 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 210.0±3.0 cm3

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