ChemSpider 2D Image | (1R)-9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one | C14H17NO2

(1R)-9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

  • Molecular FormulaC14H17NO2
  • Average mass231.290 Da
  • Monoisotopic mass231.125931 Da
  • ChemSpider ID59758265

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-on [German] [ACD/IUPAC Name]
(1R)-9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one [ACD/IUPAC Name]
(1R)-9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one [French] [ACD/IUPAC Name]
3-Oxa-9-azabicyclo[3.3.1]nonan-7-one, 9-(phenylmethyl)-, (1R)- [ACD/Index Name]
81514-40-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 371.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.3±27.9 °C
Index of Refraction: 1.570
Molar Refractivity: 64.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 29.64
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.69
ACD/KOC (pH 7.4): 119.44
Polar Surface Area: 30 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 197.6±3.0 cm3

Click to predict properties on the Chemicalize site


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