ChemSpider 2D Image | 1-[3-(Trifluoromethyl)phenyl]-1-butanamine | C11H14F3N

1-[3-(Trifluoromethyl)phenyl]-1-butanamine

  • Molecular FormulaC11H14F3N
  • Average mass217.231 Da
  • Monoisotopic mass217.107834 Da
  • ChemSpider ID24050442

More details:

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

1-[3-(Trifluormethyl)phenyl]-1-butanamin [German] [ACD/IUPAC Name]
1-[3-(Trifluoromethyl)phenyl]-1-butanamine [ACD/IUPAC Name]
1-[3-(Trifluorométhyl)phényl]-1-butanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-propyl-3-(trifluoromethyl)- [ACD/Index Name]
1-[3-(trifluoromethyl)phenyl]butan-1-amine
708253-40-1 [RN]
MFCD11148427 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 226.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 46.2±3.0 kJ/mol
    Flash Point: 94.6±10.6 °C
    Index of Refraction: 1.467
    Molar Refractivity: 53.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.16
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 2.99
    ACD/KOC (pH 7.4): 27.09
    Polar Surface Area: 26 Å2
    Polarizability: 21.2±0.5 10-24cm3
    Surface Tension: 29.0±3.0 dyne/cm
    Molar Volume: 193.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement