ChemSpider 2D Image | tert-Butyl N-(3-ethoxypropyl)-beta-alaninate | C12H25NO3

tert-Butyl N-(3-ethoxypropyl)-β-alaninate

  • Molecular FormulaC12H25NO3
  • Average mass231.332 Da
  • Monoisotopic mass231.183441 Da
  • ChemSpider ID24531554

More details:

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

2-Methyl-2-propanyl N-(3-ethoxypropyl)-β-alaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-(3-ethoxypropyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(3-Éthoxypropyl)-β-alaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl N-(3-ethoxypropyl)-β-alaninate
β-Alanine, N-(3-ethoxypropyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
1221342-17-1 [RN]
atoms 16 bonds 15
MFCD14707391
tert-butyl 3-((3-ethoxypropyl)amino)propanoate
tert-butyl 3-(3-ethoxypropylamino)propanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 0.9±0.1 g/cm3
    Boiling Point: 297.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.7±3.0 kJ/mol
    Flash Point: 133.5±23.2 °C
    Index of Refraction: 1.441
    Molar Refractivity: 64.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): -1.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.45
    Polar Surface Area: 48 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 30.6±3.0 dyne/cm
    Molar Volume: 245.3±3.0 cm3

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