ChemSpider 2D Image | 3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen (2-cyano-5-pyrimidinyl)boronate | C11H16BN3O3

3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen (2-cyano-5-pyrimidinyl)boronate

  • Molecular FormulaC11H16BN3O3
  • Average mass249.074 Da
  • Monoisotopic mass249.128479 Da
  • ChemSpider ID25949966

More details:

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

3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen (2-cyano-5-pyrimidinyl)boronate [ACD/IUPAC Name]
3-Hydroxy-2,3-dimethyl-2-butanyl-hydrogen(2-cyan-5-pyrimidinyl)borat [German] [ACD/IUPAC Name]
Boronic acid, B-(2-cyano-5-pyrimidinyl)-, mono(2-hydroxy-1,1,2-trimethylpropyl) ester [ACD/Index Name]
Hydrogéno(2-cyano-5-pyrimidinyl)boronate de 3-hydroxy-2,3-diméthyl-2-butanyle [French] [ACD/IUPAC Name]
1025708-31-9 [RN]
2-Cyanopyrimidine-5-boronic acid pinacol ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 430.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 214.4±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.39
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 208.2±5.0 cm3

Click to predict properties on the Chemicalize site


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