ChemSpider 2D Image | tert-Butyl N-cyclohexyl-beta-alaninate | C13H25NO2

tert-Butyl N-cyclohexyl-β-alaninate

  • Molecular FormulaC13H25NO2
  • Average mass227.343 Da
  • Monoisotopic mass227.188522 Da
  • ChemSpider ID24531530

More details:

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

2-Methyl-2-propanyl N-cyclohexyl-β-alaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-cyclohexyl-β-alaninat [German] [ACD/IUPAC Name]
3-CYCLOHEXYLAMINO-PROPIONIC ACID TERT-BUTYL ESTER
66937-56-2 [RN]
N-Cyclohexyl-β-alaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl N-cyclohexyl-β-alaninate
β-Alanine, N-cyclohexyl-, 1,1-dimethylethyl ester [ACD/Index Name]
atoms 16 bonds 16
MFCD06761668
tert-butyl 3-(cyclohexylamino)propanoate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 315.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.6±3.0 kJ/mol
    Flash Point: 144.3±23.2 °C
    Index of Refraction: 1.467
    Molar Refractivity: 65.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): -0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.48
    Polar Surface Area: 38 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 33.5±5.0 dyne/cm
    Molar Volume: 236.6±5.0 cm3

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