ChemSpider 2D Image | (1R,5S)-1-(4-Bromophenyl)-3-azabicyclo[3.1.0]hexane | C11H12BrN

(1R,5S)-1-(4-Bromophenyl)-3-azabicyclo[3.1.0]hexane

  • Molecular FormulaC11H12BrN
  • Average mass238.124 Da
  • Monoisotopic mass237.015305 Da
  • ChemSpider ID67868413

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-1-(4-Bromophenyl)-3-azabicyclo[3.1.0]hexane [ACD/IUPAC Name]
(1R,5S)-1-(4-Bromophényl)-3-azabicyclo[3.1.0]hexane [French] [ACD/IUPAC Name]
(1R,5S)-1-(4-Bromphenyl)-3-azabicyclo[3.1.0]hexan [German] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane, 1-(4-bromophenyl)-, (1R,5S)- [ACD/Index Name]
956037-89-1 [RN]
MFCD30729985

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 302.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.3±3.0 kJ/mol
    Flash Point: 136.6±23.2 °C
    Index of Refraction: 1.631
    Molar Refractivity: 56.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 12 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 53.3±3.0 dyne/cm
    Molar Volume: 158.6±3.0 cm3

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