ChemSpider 2D Image | (6R)-6-(Bromomethyl)quinuclidin-3-one | C8H12BrNO

(6R)-6-(Bromomethyl)quinuclidin-3-one

  • Molecular FormulaC8H12BrNO
  • Average mass218.091 Da
  • Monoisotopic mass217.010223 Da
  • ChemSpider ID26581005

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6R)-6-(Brommethyl)chinuclidin-3-on [German] [ACD/IUPAC Name]
(6R)-6-(Bromomethyl)quinuclidin-3-one [ACD/IUPAC Name]
(6R)-6-(Bromométhyl)quinuclidin-3-one [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]octan-3-one, 6-(bromomethyl)-, (6R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 293.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 131.1±20.4 °C
Index of Refraction: 1.572
Molar Refractivity: 46.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 49.94
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 88.61
Polar Surface Area: 20 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 141.9±5.0 cm3

Click to predict properties on the Chemicalize site


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