ChemSpider 2D Image | Benzyl 3-cyano-1-azetidinecarboxylate | C12H12N2O2

Benzyl 3-cyano-1-azetidinecarboxylate

  • Molecular FormulaC12H12N2O2
  • Average mass216.236 Da
  • Monoisotopic mass216.089874 Da
  • ChemSpider ID23960671

More details:

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

1-Azetidinecarboxylic acid, 3-cyano-, phenylmethyl ester [ACD/Index Name]
288851-42-3 [RN]
3-Cyano-1-azétidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3-cyano-1-azetidinecarboxylate [ACD/IUPAC Name]
benzyl 3-cyanoazetidine-1-carboxylate
Benzyl-3-cyan-1-azetidincarboxylat [German] [ACD/IUPAC Name]
[288851-42-3] [RN]
1-Cbz-3-cyanoazetidine
1-Cbz-3-cyanoazetidine|Benzyl 3-cyanoazetidine-1-carboxylate
1-N-Cbz-3-cyanoazetidine
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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, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 391.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 190.3±27.9 °C
    Index of Refraction: 1.582
    Molar Refractivity: 58.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.72
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 9.46
    ACD/KOC (pH 5.5): 173.79
    ACD/LogD (pH 7.4): 1.59
    ACD/BCF (pH 7.4): 9.46
    ACD/KOC (pH 7.4): 173.79
    Polar Surface Area: 53 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 54.6±5.0 dyne/cm
    Molar Volume: 174.2±5.0 cm3

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