ChemSpider 2D Image | tert-butyl 4-(cyano(phenyl)methylene)piperidine-1-carboxylate | C18H22N2O2

tert-butyl 4-(cyano(phenyl)methylene)piperidine-1-carboxylate

  • Molecular FormulaC18H22N2O2
  • Average mass298.379 Da
  • Monoisotopic mass298.168121 Da
  • ChemSpider ID27451735

More details:

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

1170054-42-8 [RN]
1-Piperidinecarboxylic acid, 4-(cyanophenylmethylene)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[cyano(phenyl)methylene]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[cyan(phenyl)methylen]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[Cyano(phényl)méthylène]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(cyano(phenyl)methylene)piperidine-1-carboxylate
MFCD14281947 [MDL number]
tert-butyl 4-[cyano(phenyl)methylene]piperidine-1-carboxylate
tert-butyl 4-[cyano(phenyl)methylidene]piperidine-1-carboxylate
tert-butyl4-(cyano(phenyl)methylene)piperidine-1-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 447.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.6±3.0 kJ/mol
    Flash Point: 224.7±28.7 °C
    Index of Refraction: 1.555
    Molar Refractivity: 85.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.85
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 605.04
    ACD/KOC (pH 5.5): 3410.38
    ACD/LogD (pH 7.4): 3.96
    ACD/BCF (pH 7.4): 605.04
    ACD/KOC (pH 7.4): 3410.38
    Polar Surface Area: 53 Å2
    Polarizability: 33.8±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 265.7±3.0 cm3

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