ChemSpider 2D Image | 3-[(1R,5R,9S)-2,9-Dimethyl-2-azabicyclo[3.3.1]non-5-yl]phenol | C16H23NO

3-[(1R,5R,9S)-2,9-Dimethyl-2-azabicyclo[3.3.1]non-5-yl]phenol

  • Molecular FormulaC16H23NO
  • Average mass245.360 Da
  • Monoisotopic mass245.177963 Da
  • ChemSpider ID25045846

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[(1R,5R,9S)-2,9-Dimethyl-2-azabicyclo[3.3.1]non-5-yl]phenol [German] [ACD/IUPAC Name]
3-[(1R,5R,9S)-2,9-Dimethyl-2-azabicyclo[3.3.1]non-5-yl]phenol [ACD/IUPAC Name]
3-[(1R,5R,9S)-2,9-Diméthyl-2-azabicyclo[3.3.1]non-5-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(1R,5R,9S)-2,9-dimethyl-2-azabicyclo[3.3.1]non-5-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 368.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 171.2±26.5 °C
Index of Refraction: 1.561
Molar Refractivity: 74.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.22
Polar Surface Area: 23 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 229.1±3.0 cm3

Click to predict properties on the Chemicalize site


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