ChemSpider 2D Image | 1-Boc-3-(cyanomethyl)azetidine | C10H16N2O2

1-Boc-3-(cyanomethyl)azetidine

  • Molecular FormulaC10H16N2O2
  • Average mass196.246 Da
  • Monoisotopic mass196.121185 Da
  • ChemSpider ID23078046

More details:

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

142253-58-5 [RN]
1-Boc-3-(cyanomethyl)azetidine
tert-Butyl 3-(cyanomethyl)azetidine-1-carboxylate
[142253-58-5] [RN]
MFCD11035913 [MDL number]

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, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 310.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.1±3.0 kJ/mol
    Flash Point: 141.3±20.4 °C
    Index of Refraction: 1.483
    Molar Refractivity: 51.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.28
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 5.49
    ACD/KOC (pH 5.5): 117.82
    ACD/LogD (pH 7.4): 1.28
    ACD/BCF (pH 7.4): 5.49
    ACD/KOC (pH 7.4): 117.82
    Polar Surface Area: 53 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 41.2±3.0 dyne/cm
    Molar Volume: 180.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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