ChemSpider 2D Image | 2-Methyl-2-propanyl [(trans-4-cyanocyclohexyl)methyl]carbamate | C13H22N2O2

2-Methyl-2-propanyl [(trans-4-cyanocyclohexyl)methyl]carbamate

  • Molecular FormulaC13H22N2O2
  • Average mass238.326 Da
  • Monoisotopic mass238.168121 Da
  • ChemSpider ID21373706

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(trans-4-Cyanocyclohexyl)méthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(trans-4-cyanocyclohexyl)methyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(trans-4-cyancyclohexyl)methyl]carbamat [German] [ACD/IUPAC Name]
473923-79-4 [RN]
Carbamic acid, N-[(trans-4-cyanocyclohexyl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(4-cyanocyclohexylmethyl)-carbamic acid tert-butyl ester and enantiomer
MFCD09749844
tert-Butyl ((trans-4-cyanocyclohexyl)methyl)carbamate
tert-butyl N-{[(1r,4r)-4-cyanocyclohexyl]methyl}carbamate
trans-(4-Cyano-cyclohexylmethyl)-carbamic acid tert-butyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 384.0±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.3±3.0 kJ/mol
    Flash Point: 186.0±20.4 °C
    Index of Refraction: 1.480
    Molar Refractivity: 65.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 66.80
    ACD/KOC (pH 5.5): 704.33
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 66.80
    ACD/KOC (pH 7.4): 704.32
    Polar Surface Area: 62 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 38.8±5.0 dyne/cm
    Molar Volume: 230.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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