ChemSpider 2D Image | 1-tert-Butyl 3-ethyl 3-cyanoazetidine-1,3-dicarboxylate | C12H18N2O4

1-tert-Butyl 3-ethyl 3-cyanoazetidine-1,3-dicarboxylate

  • Molecular FormulaC12H18N2O4
  • Average mass254.282 Da
  • Monoisotopic mass254.126663 Da
  • ChemSpider ID28467279

More details:

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

1-(1,1-Dimethylethyl) 3-ethyl 3-cyano-1,3-azetidinedicarboxylate
1,3-Azetidinedicarboxylic acid, 3-cyano-, 1-(1,1-dimethylethyl) 3-ethyl ester [ACD/Index Name]
1105663-96-4 [RN]
1-tert-Butyl 3-ethyl 3-cyanoazetidine-1,3-dicarboxylate
3-Cyano-1,3-azétidinedicarboxylate de 3-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
3-Ethyl 1-(2-methyl-2-propanyl) 3-cyano-1,3-azetidinedicarboxylate [ACD/IUPAC Name]
3-Ethyl-1-(2-methyl-2-propanyl)-3-cyan-1,3-azetidindicarboxylat [German] [ACD/IUPAC Name]
[1105663-96-4] [RN]
[1105665-34-6] [RN]
1-​tert-​butyl 3-​ethyl 3-​cyanoazetidine-​1,​3-​dicarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 359.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.5±3.0 kJ/mol
    Flash Point: 171.0±27.9 °C
    Index of Refraction: 1.497
    Molar Refractivity: 63.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.16
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.56
    ACD/KOC (pH 5.5): 133.81
    ACD/LogD (pH 7.4): 1.38
    ACD/BCF (pH 7.4): 6.56
    ACD/KOC (pH 7.4): 133.81
    Polar Surface Area: 80 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 45.5±5.0 dyne/cm
    Molar Volume: 215.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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