ChemSpider 2D Image | tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate | C10H18N2O2

tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

  • Molecular FormulaC10H18N2O2
  • Average mass198.262 Da
  • Monoisotopic mass198.136826 Da
  • ChemSpider ID26519337

More details:

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

2-Methyl-2-propanyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3,6-diazabicyclo[3.1.1]heptan-6-carboxylat [German] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.1.1]heptane-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 1,1-dimethylethyl ester [ACD/Index Name]
869494-16-6 [RN]
tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
[869494-16-6] [RN]
3,​6-​diazabicyclo[3.1.1]​heptane-​6-​carboxylic acid, 1,​1-​dimethylethyl ester
3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester
6-boc-3,6-diazabicyclo[3.1.1]heptane
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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±15.0 °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±20.4 °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: 0.41
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.82
    ACD/BCF (pH 7.4): 1.62
    ACD/KOC (pH 7.4): 29.87
    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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