ChemSpider 2D Image | (3S)-3-Amino-3-(3-bromophenyl)-1-propanol | C9H12BrNO

(3S)-3-Amino-3-(3-bromophenyl)-1-propanol

  • Molecular FormulaC9H12BrNO
  • Average mass230.102 Da
  • Monoisotopic mass229.010223 Da
  • ChemSpider ID21373661

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-3-(3-bromophenyl)-1-propanol [ACD/IUPAC Name]
(3S)-3-Amino-3-(3-bromophényl)-1-propanol [French] [ACD/IUPAC Name]
(3S)-3-Amino-3-(3-bromophenyl)propan-1-ol
(3S)-3-Amino-3-(3-bromphenyl)-1-propanol [German] [ACD/IUPAC Name]
Benzenepropanol, γ-amino-3-bromo-, (γS)- [ACD/Index Name]
(S)-3-(3-Bromophenyl)-β-alaninol
(S)-3-Amino-3-(3-bromophenyl)propan-1-ol
(S)-3-Amino-3-(3-bromo-phenyl)-propan-1-ol
(S)-β-(3-Bromophenyl)alaninol
1212869-85-6 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 348.6±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.6±3.0 kJ/mol
    Flash Point: 164.6±23.7 °C
    Index of Refraction: 1.594
    Molar Refractivity: 53.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.36
    ACD/LogD (pH 5.5): -1.81
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.29
    Polar Surface Area: 46 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 50.7±3.0 dyne/cm
    Molar Volume: 156.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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