ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate | C12H20N2O3

2-Methyl-2-propanyl (1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID61576313

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,6R)-4-Oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-carboxylat [German] [ACD/IUPAC Name]
3,9-Diazabicyclo[4.2.1]nonane-9-carboxylic acid, 4-oxo-, 1,1-dimethylethyl ester, (1S,6R)- [ACD/Index Name]
1314391-26-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 405.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 198.9±26.8 °C
Index of Refraction: 1.500
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 48.65
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 48.65
Polar Surface Area: 59 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 211.5±3.0 cm3

Click to predict properties on the Chemicalize site


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