ChemSpider 2D Image | N-[3-(Trifluoromethyl)benzyl]-2-butanamine | C12H16F3N

N-[3-(Trifluoromethyl)benzyl]-2-butanamine

  • Molecular FormulaC12H16F3N
  • Average mass231.257 Da
  • Monoisotopic mass231.123489 Da
  • ChemSpider ID24016192

More details:

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

Benzenemethanamine, N-(1-methylpropyl)-3-(trifluoromethyl)- [ACD/Index Name]
N-[3-(Trifluormethyl)benzyl]-2-butanamin [German] [ACD/IUPAC Name]
N-[3-(Trifluoromethyl)benzyl]-2-butanamine [ACD/IUPAC Name]
N-[3-(Trifluorométhyl)benzyl]-2-butanamine [French] [ACD/IUPAC Name]
(butan-2-yl)({[3-(trifluoromethyl)phenyl]methyl})amine
1019564-96-5 [RN]
atoms 16 bonds 16
MFCD11142391
N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
SEC-BUTYL({[3-(TRIFLUOROMETHYL)PHENYL]METHYL})AMINE

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 235.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.2±3.0 kJ/mol
    Flash Point: 95.9±25.9 °C
    Index of Refraction: 1.455
    Molar Refractivity: 58.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.50
    ACD/LogD (pH 5.5): 0.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.60
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 2.21
    ACD/KOC (pH 7.4): 16.14
    Polar Surface Area: 12 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 26.3±3.0 dyne/cm
    Molar Volume: 214.5±3.0 cm3

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