ChemSpider 2D Image | tert-butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate | C10H18N2O2

tert-butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

  • Molecular FormulaC10H18N2O2
  • Average mass198.262 Da
  • Monoisotopic mass198.136826 Da
  • ChemSpider ID22568270

More details:

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

1,1-Dimethylethyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
1017789-34-2 [RN]
2-Methyl-2-propanyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3,6-diazabicyclo[3.2.0]heptan-3-carboxylat [German] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.2.0]heptane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.2.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
(S,S)-3-Boc-3,6-Diazabicyclo[3.2.0]heptane
1419075-97-0 [RN]
3,6-Diaza-bicyclo[3.2.0]heptane-3-carboxylic acid tert-butyl ester
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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: 276.4±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 120.9±19.8 °C
    Index of Refraction: 1.501
    Molar Refractivity: 52.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.53
    ACD/LogD (pH 5.5): -2.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 42 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 37.4±3.0 dyne/cm
    Molar Volume: 179.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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