ChemSpider 2D Image | tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate | C12H19NO3

tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID28290237

More details:

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

2-Methyl-2-propanyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-oxo-3-azabicyclo[3.2.1]octan-3-carboxylat [German] [ACD/IUPAC Name]
3-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
637301-19-0 [RN]
8-Oxo-3-azabicyclo[3.2.1]octane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
[637301-19-0] [RN]
3-Boc-3-azabicyclo[3.2.1]octan-8-one
3-Boc-8-oxo-3-azabicyclo[3.2.1]octane
8-Oxo-3-aza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    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): 1.14
    ACD/BCF (pH 5.5): 4.33
    ACD/KOC (pH 5.5): 99.30
    ACD/LogD (pH 7.4): 1.14
    ACD/BCF (pH 7.4): 4.33
    ACD/KOC (pH 7.4): 99.30
    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

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