ChemSpider 2D Image | tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate | C12H20N2O3

tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID21429315

More details:

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

1-Piperidinecarboxylic acid, 4-(cyanomethyl)-4-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(cyanomethyl)-4-hydroxy-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(cyanmethyl)-4-hydroxy-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(Cyanométhyl)-4-hydroxy-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
774609-73-3 [RN]
tert-butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate
[774609-73-3] [RN]
4-(cyanomethyl)-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester
DS-10802
MFCD11111486 [MDL number]
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 387.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±6.0 kJ/mol
    Flash Point: 187.9±23.7 °C
    Index of Refraction: 1.501
    Molar Refractivity: 62.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.23
    ACD/LogD (pH 5.5): 0.90
    ACD/BCF (pH 5.5): 2.83
    ACD/KOC (pH 5.5): 73.31
    ACD/LogD (pH 7.4): 0.90
    ACD/BCF (pH 7.4): 2.83
    ACD/KOC (pH 7.4): 73.31
    Polar Surface Area: 74 Å2
    Polarizability: 24.6±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 211.1±3.0 cm3

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