ChemSpider 2D Image | tert-Butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate | C12H19NO3

tert-Butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID25027216

More details:

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

2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-oxo-2-azabicyclo[2.2.2]octan-2-carboxylat [German] [ACD/IUPAC Name]
5-Oxo-2-azabicyclo[2.2.2]octane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
617714-22-4 [RN]
tert-Butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
1818843-13-8 [RN]
1932043-29-2 [RN]
2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-oxo-,1,1-dimethylethyl ester
2-AZABICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACID, 5-OXO-,1,1-DIMETHYLETHYL ESTER[617714-22-4]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 325.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±3.0 kJ/mol
    Flash Point: 150.8±25.9 °C
    Index of Refraction: 1.507
    Molar Refractivity: 58.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.80
    ACD/LogD (pH 5.5): 1.20
    ACD/BCF (pH 5.5): 4.82
    ACD/KOC (pH 5.5): 107.21
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 4.82
    ACD/KOC (pH 7.4): 107.21
    Polar Surface Area: 47 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 41.2±3.0 dyne/cm
    Molar Volume: 197.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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