ChemSpider 2D Image | PHENYLALANINE BORONIC ACID | C8H12BNO2

PHENYLALANINE BORONIC ACID

  • Molecular FormulaC8H12BNO2
  • Average mass164.997 Da
  • Monoisotopic mass165.096115 Da
  • ChemSpider ID25058137

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1R)-1-Amino-2-phenylethyl]boronic acid [ACD/IUPAC Name]
[(1R)-1-Amino-2-phenylethyl]borsäure [German] [ACD/IUPAC Name]
Acide [(1R)-1-amino-2-phényléthyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1R)-1-amino-2-phenylethyl]- [ACD/Index Name]
PHENYLALANINE BORONIC ACID
(r)-(1-amino-2-phenylethyl)boronic acid
150178-25-9 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 348.3±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.5±3.0 kJ/mol
    Flash Point: 164.4±30.7 °C
    Index of Refraction: 1.552
    Molar Refractivity: 45.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): -2.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.39
    Polar Surface Area: 66 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 143.3±3.0 cm3

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