ChemSpider 2D Image | (2S)-1-(4-Bromophenyl)-2-propanamine | C9H12BrN

(2S)-1-(4-Bromophenyl)-2-propanamine

  • Molecular FormulaC9H12BrN
  • Average mass214.102 Da
  • Monoisotopic mass213.015305 Da
  • ChemSpider ID32797725

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-Bromophenyl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-(4-Bromophényl)-2-propanamine [French] [ACD/IUPAC Name]
(2S)-1-(4-Bromphenyl)-2-propanamin [German] [ACD/IUPAC Name]
869567-02-2 [RN]
Benzeneethanamine, 4-bromo-α-methyl-, (αS)- [ACD/Index Name]
(1s)-2-(4-bromophenyl)-1-methylethylamine
(S)-1-(4-bromophenyl)propan-2-amine
MFCD20459848

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 272.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.1±3.0 kJ/mol
    Flash Point: 118.5±20.4 °C
    Index of Refraction: 1.563
    Molar Refractivity: 51.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): -0.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.45
    Polar Surface Area: 26 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 40.3±3.0 dyne/cm
    Molar Volume: 159.0±3.0 cm3

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