ChemSpider 2D Image | (4-Butyl-5-pyrimidinyl)boronic acid | C8H13BN2O2

(4-Butyl-5-pyrimidinyl)boronic acid

  • Molecular FormulaC8H13BN2O2
  • Average mass180.012 Da
  • Monoisotopic mass180.107010 Da
  • ChemSpider ID26460942

More details:

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

(4-Butyl-5-pyrimidinyl)boronic acid [ACD/IUPAC Name]
(4-Butyl-5-pyrimidinyl)borsäure [German] [ACD/IUPAC Name]
(4-Butylpyrimidin-5-yl)boronic acid
1072945-78-8 [RN]
Acide (4-butyl-5-pyrimidinyl)boronique [French] [ACD/IUPAC Name]
B-(4-Butyl-5-pyrimidinyl)boronic acid
Boronic acid, B-(4-butyl-5-pyrimidinyl)- [ACD/Index Name]
4-BUTYLPYRIMIDIN-5-YLBORONIC ACID
4-butylpyrimidine-5-boronic acid
MFCD10699616

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

Density: 1.1±0.1 g/cm3
Boiling Point: 363.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 173.7±28.4 °C
Index of Refraction: 1.511
Molar Refractivity: 47.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.60
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 158.4±5.0 cm3

Click to predict properties on the Chemicalize site


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