ChemSpider 2D Image | 1-(tert-butyl) 4-methyl 4-cyanopiperidine-1,4-dicarboxylate | C13H20N2O4

1-(tert-butyl) 4-methyl 4-cyanopiperidine-1,4-dicarboxylate

  • Molecular FormulaC13H20N2O4
  • Average mass268.309 Da
  • Monoisotopic mass268.142303 Da
  • ChemSpider ID25677931

More details:

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

1-(tert-butyl) 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
1,4-Piperidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 4-methyl ester [ACD/Index Name]
362703-34-2 [RN]
4-Cyano-1,4-pipéridinedicarboxylate de 4-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
4-Methyl 1-(2-methyl-2-propanyl) 4-cyano-1,4-piperidinedicarboxylate [ACD/IUPAC Name]
4-Methyl-1-(2-methyl-2-propanyl)-4-cyan-1,4-piperidindicarboxylat [German] [ACD/IUPAC Name]
1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
1-tert-butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate(wx684032)
97%
DS-7154
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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: 377.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.5±3.0 kJ/mol
    Flash Point: 181.9±27.9 °C
    Index of Refraction: 1.496
    Molar Refractivity: 67.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.61
    ACD/KOC (pH 5.5): 324.37
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.61
    ACD/KOC (pH 7.4): 324.37
    Polar Surface Area: 80 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 44.8±5.0 dyne/cm
    Molar Volume: 232.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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