ChemSpider 2D Image | (2R,3R)-2-[Hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]oct-3-yl acetate | C17H23NO3

(2R,3R)-2-[Hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]oct-3-yl acetate

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID35518548

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(2R,3R)-2-[Hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]oct-3-yl acetate [ACD/IUPAC Name]
(2R,3R)-2-[Hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]oct-3-yl-acetat [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-methanol, 3-(acetyloxy)-8-methyl-α-phenyl-, (2R,3R)- [ACD/Index Name]
Acétate de (2R,3R)-2-[hydroxy(phényl)méthyl]-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Knightinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 187.9±26.5 °C
Index of Refraction: 1.579
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 243.0±5.0 cm3

Click to predict properties on the Chemicalize site


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