ChemSpider 2D Image | 1-Boc-3-cyano-3-methylazetidine | C10H16N2O2

1-Boc-3-cyano-3-methylazetidine

  • Molecular FormulaC10H16N2O2
  • Average mass196.246 Da
  • Monoisotopic mass196.121185 Da
  • ChemSpider ID27471007

More details:

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

1-Boc-3-cyano-3-methylazetidine
936850-09-8 [RN]
MFCD17016128 [MDL number]
tert-Butyl 3-cyano-3-methylazetidine-1-carboxylate
3-Cyano-3-methyl-azetidine-1-carboxylic acid tert-butyl ester
tert-Butyl 3-cyano-3-methyl-azetidine-1-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 291.9±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.1±3.0 kJ/mol
    Flash Point: 130.3±25.4 °C
    Index of Refraction: 1.490
    Molar Refractivity: 52.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.65
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 3.21
    ACD/KOC (pH 5.5): 80.25
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 3.21
    ACD/KOC (pH 7.4): 80.25
    Polar Surface Area: 53 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 40.8±5.0 dyne/cm
    Molar Volume: 179.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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