ChemSpider 2D Image | 2-Methyl-2-propanyl (1R,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate | C12H21NO3

2-Methyl-2-propanyl (1R,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

  • Molecular FormulaC12H21NO3
  • Average mass227.300 Da
  • Monoisotopic mass227.152145 Da
  • ChemSpider ID78433384

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-3-Hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1R,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1R,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-carboxylat [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (1R,5R)- [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: 327.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 152.1±25.9 °C
Index of Refraction: 1.521
Molar Refractivity: 60.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.75
ACD/KOC (pH 5.5): 203.05
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.75
ACD/KOC (pH 7.4): 203.05
Polar Surface Area: 50 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 198.2±3.0 cm3

Click to predict properties on the Chemicalize site


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