ChemSpider 2D Image | (3S)-4-Amino-3-(4-bromophenyl)butanoic acid | C10H12BrNO2

(3S)-4-Amino-3-(4-bromophenyl)butanoic acid

  • Molecular FormulaC10H12BrNO2
  • Average mass258.112 Da
  • Monoisotopic mass257.005127 Da
  • ChemSpider ID23500144

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-Amino-3-(4-bromophenyl)butanoic acid [ACD/IUPAC Name]
(3S)-4-Amino-3-(4-bromphenyl)butansäure [German] [ACD/IUPAC Name]
Acide (3S)-4-amino-3-(4-bromophényl)butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-(aminomethyl)-4-bromo-, (βS)- [ACD/Index Name]
(S)-4-amino-3-(4-bromophenyl)butanoic acid
1260601-74-8 [RN]
MFCD11520192

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 394.9±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 192.6±25.1 °C
    Index of Refraction: 1.594
    Molar Refractivity: 57.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.74
    ACD/LogD (pH 5.5): -1.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 63 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 54.6±3.0 dyne/cm
    Molar Volume: 170.5±3.0 cm3

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