ChemSpider 2D Image | (1S,2R)-1-(4-Bromophenyl)-3-methyl-1,2-butanediamine | C11H17BrN2

(1S,2R)-1-(4-Bromophenyl)-3-methyl-1,2-butanediamine

  • Molecular FormulaC11H17BrN2
  • Average mass257.170 Da
  • Monoisotopic mass256.057495 Da
  • ChemSpider ID35328634

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-1-(4-Bromophenyl)-3-methyl-1,2-butanediamine [ACD/IUPAC Name]
(1S,2R)-1-(4-Bromophényl)-3-méthyl-1,2-butanediamine [French] [ACD/IUPAC Name]
(1S,2R)-1-(4-Bromphenyl)-3-methyl-1,2-butandiamin [German] [ACD/IUPAC Name]
1,2-Butanediamine, 1-(4-bromophenyl)-3-methyl-, (1R,2S)-rel-
1,2-Butanediamine, 1-(4-bromophenyl)-3-methyl-, (1S,2R)- [ACD/Index Name]
1263094-83-2 [RN]
MFCD12068533

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 347.3±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.2±3.0 kJ/mol
    Flash Point: 163.9±23.7 °C
    Index of Refraction: 1.568
    Molar Refractivity: 64.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): -2.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 52 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 196.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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