ChemSpider 2D Image | valine boronic acid | C4H12BNO2

valine boronic acid

  • Molecular FormulaC4H12BNO2
  • Average mass116.955 Da
  • Monoisotopic mass117.096107 Da
  • ChemSpider ID25057071

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1R)-1-Amino-2-methylpropyl]boronic acid [ACD/IUPAC Name]
[(1R)-1-Amino-2-methylpropyl]borsäure [German] [ACD/IUPAC Name]
Acide [(1R)-1-amino-2-méthylpropyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(1R)-1-amino-2-methylpropyl]- [ACD/Index Name]
valine boronic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 226.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.8±6.0 kJ/mol
Flash Point: 90.8±27.9 °C
Index of Refraction: 1.440
Molar Refractivity: 30.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 116.0±3.0 cm3

Click to predict properties on the Chemicalize site


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