ChemSpider 2D Image | (1S,5S)-8-Benzyl-8-azabicyclo[3.2.1]octan-3-one | C14H17NO

(1S,5S)-8-Benzyl-8-azabicyclo[3.2.1]octan-3-one

  • Molecular FormulaC14H17NO
  • Average mass215.291 Da
  • Monoisotopic mass215.131012 Da
  • ChemSpider ID27471092

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-8-Benzyl-8-azabicyclo[3.2.1]octan-3-on [German] [ACD/IUPAC Name]
(1S,5S)-8-Benzyl-8-azabicyclo[3.2.1]octan-3-one [ACD/IUPAC Name]
(1S,5S)-8-Benzyl-8-azabicyclo[3.2.1]octan-3-one [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octan-3-one, 8-(phenylmethyl)-, (1S,5S)- [ACD/Index Name]
28957-72-4 [RN]
MFCD00151640 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 342.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 151.0±11.9 °C
Index of Refraction: 1.584
Molar Refractivity: 63.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 42.76
Polar Surface Area: 20 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 188.8±3.0 cm3

Click to predict properties on the Chemicalize site


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