ChemSpider 2D Image | Ethyl 4-cyano-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-piperidinecarboxylate | C14H23N3O4

Ethyl 4-cyano-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-piperidinecarboxylate

  • Molecular FormulaC14H23N3O4
  • Average mass297.350 Da
  • Monoisotopic mass297.168854 Da
  • ChemSpider ID29809974

More details:

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

1-Piperidinecarboxylic acid, 4-cyano-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester [ACD/Index Name]
4-Cyano-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-cyano-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-cyan-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
1392491-76-7 [RN]
atoms 21 bonds 21
ethyl 4-((tert-butoxycarbonyl)amino)-4-cyanopiperidine-1-carboxylate
ethyl 4-{[(tert-butoxy)carbonyl]amino}-4-cyanopiperidine-1-carboxylate
ethyl 4-cyano-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
MFCD23380669

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 448.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.7±3.0 kJ/mol
    Flash Point: 225.2±28.7 °C
    Index of Refraction: 1.506
    Molar Refractivity: 76.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 20.98
    ACD/KOC (pH 5.5): 307.46
    ACD/LogD (pH 7.4): 2.04
    ACD/BCF (pH 7.4): 20.78
    ACD/KOC (pH 7.4): 304.47
    Polar Surface Area: 92 Å2
    Polarizability: 30.1±0.5 10-24cm3
    Surface Tension: 46.6±5.0 dyne/cm
    Molar Volume: 255.9±5.0 cm3

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