ChemSpider 2D Image | Ethyl {trans-4-[(ethylamino)methyl]cyclohexyl}acetate | C13H25NO2

Ethyl {trans-4-[(ethylamino)methyl]cyclohexyl}acetate

  • Molecular FormulaC13H25NO2
  • Average mass227.343 Da
  • Monoisotopic mass227.188522 Da
  • ChemSpider ID32058773

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{trans-4-[(Éthylamino)méthyl]cyclohexyl}acétate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-[(ethylamino)methyl]-, ethyl ester, trans- [ACD/Index Name]
Ethyl {trans-4-[(ethylamino)methyl]cyclohexyl}acetate [ACD/IUPAC Name]
Ethyl-{trans-4-[(ethylamino)methyl]cyclohexyl}acetat [German] [ACD/IUPAC Name]
[669080-89-1] [RN]
669080-89-1 [RN]
CS-11703
Ethyl 2-[trans-4-[(Ethylamino)methyl]cyclohexyl]acetate
ethyl2-[trans-4-[(ethylamino)methyl]cyclohexyl]acetate
MFCD06447027 [MDL number]
More...

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 296.2±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.6±3.0 kJ/mol
    Flash Point: 132.9±19.8 °C
    Index of Refraction: 1.451
    Molar Refractivity: 65.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.17
    ACD/LogD (pH 7.4): 0.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.05
    Polar Surface Area: 38 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 32.4±3.0 dyne/cm
    Molar Volume: 243.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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