ChemSpider 2D Image | tert-Butyl N-pentyl-beta-alaninate | C12H25NO2

tert-Butyl N-pentyl-β-alaninate

  • Molecular FormulaC12H25NO2
  • Average mass215.332 Da
  • Monoisotopic mass215.188522 Da
  • ChemSpider ID24531543

More details:

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

2-Methyl-2-propanyl N-pentyl-β-alaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-pentyl-β-alaninat [German] [ACD/IUPAC Name]
N-Pentyl-β-alaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl N-pentyl-β-alaninate
β-Alanine, N-pentyl-, 1,1-dimethylethyl ester [ACD/Index Name]
1221343-00-5 [RN]
atoms 15 bonds 14
MFCD14707382
tert-butyl 3-(pentylamino)propanoate

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 280.9±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.0±3.0 kJ/mol
    Flash Point: 123.7±22.6 °C
    Index of Refraction: 1.440
    Molar Refractivity: 63.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.19
    ACD/LogD (pH 5.5): 0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.18
    ACD/LogD (pH 7.4): 1.02
    ACD/BCF (pH 7.4): 1.04
    ACD/KOC (pH 7.4): 8.40
    Polar Surface Area: 38 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 29.6±3.0 dyne/cm
    Molar Volume: 239.0±3.0 cm3

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