ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate | C13H21NO3

2-Methyl-2-propanyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID32055850

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-3-Oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonan-9-carboxylat [German] [ACD/IUPAC Name]
9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester, (1S,5S)- [ACD/Index Name]
512822-27-4 [RN]
9-Boc-3-oxo-9-azabicyclo[3.3.1]nonane
9-boc-9-aza-bicyclo[3.3.1]nonan-3-one
MFCD09997838 [MDL number]
tert-butyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate

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±35.0 °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: 161.2±25.9 °C
Index of Refraction: 1.501
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.98
ACD/KOC (pH 5.5): 443.32
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.98
ACD/KOC (pH 7.4): 443.32
Polar Surface Area: 47 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 215.4±3.0 cm3

Click to predict properties on the Chemicalize site


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