ChemSpider 2D Image | 1-Boc-4-cyano-4-methylpiperidine | C12H20N2O2

1-Boc-4-cyano-4-methylpiperidine

  • Molecular FormulaC12H20N2O2
  • Average mass224.299 Da
  • Monoisotopic mass224.152481 Da
  • ChemSpider ID24748254

More details:

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

1-Boc-4-cyano-4-methylpiperidine
1-Piperidinecarboxylic acid, 4-cyano-4-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-cyano-4-methyl-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-cyan-4-methyl-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Cyano-4-méthyl-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
530115-96-9 [RN]
MFCD11849789 [MDL number]
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
[530115-96-9] [RN]
1-(2-ethyl-4-hydroxy-phenyl)-ethanone
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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: 1.1±0.1 g/cm3
    Boiling Point: 327.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.0±3.0 kJ/mol
    Flash Point: 152.1±25.9 °C
    Index of Refraction: 1.488
    Molar Refractivity: 61.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.42
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.64
    ACD/KOC (pH 5.5): 475.99
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.64
    ACD/KOC (pH 7.4): 475.99
    Polar Surface Area: 53 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 40.1±5.0 dyne/cm
    Molar Volume: 212.6±5.0 cm3

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