ChemSpider 2D Image | (1-{[6-(Dimethylamino)-3-pyridinyl]carbonyl}-3-pyrrolidinyl)boronic acid | C12H18BN3O3

(1-{[6-(Dimethylamino)-3-pyridinyl]carbonyl}-3-pyrrolidinyl)boronic acid

  • Molecular FormulaC12H18BN3O3
  • Average mass263.101 Da
  • Monoisotopic mass263.144135 Da
  • ChemSpider ID72952785

More details:

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

(1-{[6-(Dimethylamino)-3-pyridinyl]carbonyl}-3-pyrrolidinyl)boronic acid [ACD/IUPAC Name]
(1-{[6-(Dimethylamino)-3-pyridinyl]carbonyl}-3-pyrrolidinyl)borsäure [German] [ACD/IUPAC Name]
Acide (1-{[6-(diméthylamino)-3-pyridinyl]carbonyl}-3-pyrrolidinyl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-[[6-(dimethylamino)-3-pyridinyl]carbonyl]-3-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 521.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.4±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.72
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 38.78
Polar Surface Area: 77 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 206.3±5.0 cm3

Click to predict properties on the Chemicalize site


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