ChemSpider 2D Image | Ethyl 3-[benzyl(3-ethoxy-3-oxopropyl)amino]butanoate | C18H27NO4

Ethyl 3-[benzyl(3-ethoxy-3-oxopropyl)amino]butanoate

  • Molecular FormulaC18H27NO4
  • Average mass321.411 Da
  • Monoisotopic mass321.194000 Da
  • ChemSpider ID15521063

More details:

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

3-[Benzyl-(2-ethoxycarbonyl-ethyl)-amino]-butyric acid ethyl ester
3-[Benzyl(3-éthoxy-3-oxopropyl)amino]butanoate d'éthyle [French] [ACD/IUPAC Name]
58859-66-8 [RN]
Butanoic acid, 3-[(3-ethoxy-3-oxopropyl)(phenylmethyl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-[benzyl(3-ethoxy-3-oxopropyl)amino]butanoate [ACD/IUPAC Name]
Ethyl-3-[benzyl(3-ethoxy-3-oxopropyl)amino]butanoat [German] [ACD/IUPAC Name]
[58859-66-8] [RN]
[588-60-3] [RN]
3-[Benzyl-(2-ethoxycarbonyl-ethyl)-amino]-butyricacidethylester
4-(Phenylhydrazono)pentanoic acid [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 410.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.3±3.0 kJ/mol
    Flash Point: 201.9±25.9 °C
    Index of Refraction: 1.504
    Molar Refractivity: 89.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 4.12
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 6.46
    ACD/KOC (pH 5.5): 48.31
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 155.78
    ACD/KOC (pH 7.4): 1165.37
    Polar Surface Area: 56 Å2
    Polarizability: 35.4±0.5 10-24cm3
    Surface Tension: 39.0±3.0 dyne/cm
    Molar Volume: 301.9±3.0 cm3

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