ChemSpider 2D Image | MFCD12406601 | C12H18N2O4

MFCD12406601

  • Molecular FormulaC12H18N2O4
  • Average mass254.282 Da
  • Monoisotopic mass254.126663 Da
  • ChemSpider ID29339956

More details:

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

1-(tert-Butoxycarbonyl)-4-cyanopiperidine-4-carboxylic acid
1,4-Piperidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
495415-34-4 [RN]
4-Cyan-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
4-Cyano-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinecarboxylic acid [ACD/IUPAC Name]
Acide 4-cyano-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
MFCD12406601
1-[(TERT-BUTOXY)CARBONYL]-4-CYANOPIPERIDINE-4-CARBOXYLIC ACID
4-cyano-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester
Di(pyridin-3-yl)methanone
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 429.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±6.0 kJ/mol
    Flash Point: 213.5±28.7 °C
    Index of Refraction: 1.520
    Molar Refractivity: 62.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.59
    ACD/LogD (pH 5.5): -2.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 91 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 52.4±5.0 dyne/cm
    Molar Volume: 207.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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