ChemSpider 2D Image | 3-Amino-3-(3,4-difluorophenyl)propanenitrile | C9H8F2N2

3-Amino-3-(3,4-difluorophenyl)propanenitrile

  • Molecular FormulaC9H8F2N2
  • Average mass182.170 Da
  • Monoisotopic mass182.065552 Da
  • ChemSpider ID32972377

More details:

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

3-Amino-3-(3,4-difluorophenyl)propanenitrile [ACD/IUPAC Name]
3-Amino-3-(3,4-difluorophényl)propanenitrile [French] [ACD/IUPAC Name]
3-Amino-3-(3,4-difluorphenyl)propannitril [German] [ACD/IUPAC Name]
Benzenepropanenitrile, β-amino-3,4-difluoro- [ACD/Index Name]
1212864-61-3 [RN]
1213323-89-7 [RN]
1270341-81-5 [RN]
MFCD09819542
MFCD09819543
MFCD18702060

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 316.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±3.0 kJ/mol
    Flash Point: 145.2±26.5 °C
    Index of Refraction: 1.517
    Molar Refractivity: 43.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.81
    ACD/LogD (pH 5.5): -0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.42
    ACD/LogD (pH 7.4): 0.93
    ACD/BCF (pH 7.4): 2.90
    ACD/KOC (pH 7.4): 72.42
    Polar Surface Area: 50 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 145.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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