ChemSpider 2D Image | 4-[(1S)-1-Amino-2-hydroxyethyl]-5-bromo-2-methoxyphenol | C9H12BrNO3

4-[(1S)-1-Amino-2-hydroxyethyl]-5-bromo-2-methoxyphenol

  • Molecular FormulaC9H12BrNO3
  • Average mass262.100 Da
  • Monoisotopic mass261.000061 Da
  • ChemSpider ID27446208

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(1S)-1-Amino-2-hydroxyethyl]-5-brom-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(1S)-1-Amino-2-hydroxyethyl]-5-bromo-2-methoxyphenol [ACD/IUPAC Name]
4-[(1S)-1-Amino-2-hydroxyéthyl]-5-bromo-2-méthoxyphénol [French] [ACD/IUPAC Name]
Benzeneethanol, β-amino-2-bromo-4-hydroxy-5-methoxy-, (βS)- [ACD/Index Name]
1213585-39-7 [RN]
4-((1S)-1-AMINO-2-HYDROXYETHYL)-5-BROMO-2-METHOXYPHENOL
MFCD09831431

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.6±0.1 g/cm3
    Boiling Point: 437.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 218.3±28.7 °C
    Index of Refraction: 1.619
    Molar Refractivity: 57.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): -2.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 58.6±3.0 dyne/cm
    Molar Volume: 162.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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