ChemSpider 2D Image | [(1S)-1-Amino-3-methylbutyl]boronic acid | C5H14BNO2

[(1S)-1-Amino-3-methylbutyl]boronic acid

  • Molecular FormulaC5H14BNO2
  • Average mass130.981 Da
  • Monoisotopic mass131.111755 Da
  • ChemSpider ID32076881

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1S)-1-Amino-3-methylbutyl]boronic acid [ACD/IUPAC Name]
[(1S)-1-Amino-3-methylbutyl]borsäure [German] [ACD/IUPAC Name]
Acide [(1S)-1-amino-3-méthylbutyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1S)-1-amino-3-methylbutyl]- [ACD/Index Name]
(S)-(1-amino-3-methylbutyl)boronic acid
867374-81-0 [RN]
MFCD28126879

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 238.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 55.2±6.0 kJ/mol
    Flash Point: 97.7±27.9 °C
    Index of Refraction: 1.444
    Molar Refractivity: 35.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): -2.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.83
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 13.9±0.5 10-24cm3
    Surface Tension: 36.4±3.0 dyne/cm
    Molar Volume: 132.5±3.0 cm3

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