ChemSpider 2D Image | Ethyl N-(2,2-dimethoxyethyl)-beta-alaninate | C9H19NO4

Ethyl N-(2,2-dimethoxyethyl)-β-alaninate

  • Molecular FormulaC9H19NO4
  • Average mass205.251 Da
  • Monoisotopic mass205.131409 Da
  • ChemSpider ID24531593

More details:

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

Ethyl N-(2,2-dimethoxyethyl)-β-alaninate [ACD/IUPAC Name]
Ethyl-N-(2,2-dimethoxyethyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(2,2-Diméthoxyéthyl)-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(2,2-dimethoxyethyl)-, ethyl ester [ACD/Index Name]
198628-01-2 [RN]
atoms 14 bonds 13
ethyl 3-[(2,2-dimethoxyethyl)amino]propanoate
Ethyl3-[(2,2-dimethoxyethyl)amino]propanoate
MFCD14707418

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 261.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.9±3.0 kJ/mol
    Flash Point: 111.6±24.6 °C
    Index of Refraction: 1.432
    Molar Refractivity: 52.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): -0.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.19
    ACD/LogD (pH 7.4): 0.50
    ACD/BCF (pH 7.4): 1.25
    ACD/KOC (pH 7.4): 35.56
    Polar Surface Area: 57 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 31.5±3.0 dyne/cm
    Molar Volume: 202.5±3.0 cm3

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