ChemSpider 2D Image | tert-Butyl N-[5-(diethylamino)pentan-2-yl]-beta-alaninate | C16H34N2O2

tert-Butyl N-[5-(diethylamino)pentan-2-yl]-β-alaninate

  • Molecular FormulaC16H34N2O2
  • Average mass286.453 Da
  • Monoisotopic mass286.262024 Da
  • ChemSpider ID24531558

More details:

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

2-Methyl-2-propanyl N-[5-(diethylamino)-2-pentanyl]-β-alaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-[5-(diethylamino)-2-pentanyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[5-(Diéthylamino)-2-pentanyl]-β-alaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl N-[5-(diethylamino)pentan-2-yl]-β-alaninate
β-Alanine, N-[4-(diethylamino)-1-methylbutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
1456484-12-0 [RN]
atoms 20 bonds 19
MFCD14707395
N(5-diethylaminopent-2-yl)-β-alanine-tert-buthyl-ester
tert-butyl 3-((5-(diethylamino)pentan-2-yl)amino)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: 357.6±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 170.1±23.7 °C
    Index of Refraction: 1.457
    Molar Refractivity: 85.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): -0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 42 Å2
    Polarizability: 33.8±0.5 10-24cm3
    Surface Tension: 31.3±3.0 dyne/cm
    Molar Volume: 312.6±3.0 cm3

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