ChemSpider 2D Image | (13cis)-15-{[4-(Ethoxycarbonyl)phenyl]amino}retinal | C29H37NO3

(13cis)-15-{[4-(Ethoxycarbonyl)phenyl]amino}retinal

  • Molecular FormulaC29H37NO3
  • Average mass447.609 Da
  • Monoisotopic mass447.277344 Da
  • ChemSpider ID58191358

  • Double-bond stereo - Double-bond stereo

More details:

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

(13cis)-15-{[4-(Ethoxycarbonyl)phenyl]amino}retinal [German] [ACD/IUPAC Name]
(13cis)-15-{[4-(Ethoxycarbonyl)phenyl]amino}retinal [ACD/IUPAC Name]
(13cis)-15-{[4-(Éthoxycarbonyl)phényl]amino}rétinal [French] [ACD/IUPAC Name]
Retinal, 15-[[4-(ethoxycarbonyl)phenyl]amino]-, (13cis)- [ACD/Index Name]
(1-ethylpiperidin-4-yl)methanamine
13-cis-N-[4-(Ethoxycarbonyl)phenyl]retinamide
251441-94-8 [RN]
53839-71-7 [RN]
Ethyl 4-(3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamido)benzoate
ethyl 4-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 619.4±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.8±3.0 kJ/mol
    Flash Point: 328.4±29.3 °C
    Index of Refraction: 1.583
    Molar Refractivity: 139.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 9.09
    ACD/LogD (pH 5.5): 7.99
    ACD/BCF (pH 5.5): 689433.50
    ACD/KOC (pH 5.5): 525730.56
    ACD/LogD (pH 7.4): 7.99
    ACD/BCF (pH 7.4): 689428.25
    ACD/KOC (pH 7.4): 525726.50
    Polar Surface Area: 55 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 43.3±3.0 dyne/cm
    Molar Volume: 417.9±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement