ChemSpider 2D Image | 1-{[(1R,5R)-1,3,3-Trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl}-2-naphthol | C21H27NO

1-{[(1R,5R)-1,3,3-Trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl}-2-naphthol

  • Molecular FormulaC21H27NO
  • Average mass309.445 Da
  • Monoisotopic mass309.209259 Da
  • ChemSpider ID95503998

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{[(1R,5R)-1,3,3-Trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl}-2-naphthol [German] [ACD/IUPAC Name]
1-{[(1R,5R)-1,3,3-Trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl}-2-naphthol [ACD/IUPAC Name]
1-{[(1R,5R)-1,3,3-Triméthyl-6-azabicyclo[3.2.1]oct-6-yl]méthyl}-2-naphtol [French] [ACD/IUPAC Name]
2-Naphthalenol, 1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methyl]- [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: 430.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 198.0±20.4 °C
Index of Refraction: 1.613
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.29
ACD/KOC (pH 5.5): 16.26
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 91.98
ACD/KOC (pH 7.4): 282.61
Polar Surface Area: 23 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 278.0±3.0 cm3

Click to predict properties on the Chemicalize site


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