ChemSpider 2D Image | tert-Butyl 2-methyl-3-(octylamino)propanoate | C16H33NO2

tert-Butyl 2-methyl-3-(octylamino)propanoate

  • Molecular FormulaC16H33NO2
  • Average mass271.439 Da
  • Monoisotopic mass271.251129 Da
  • ChemSpider ID24531667

More details:

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

2-Methyl-2-propanyl 2-methyl-3-(octylamino)propanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-methyl-3-(octylamino)propanoat [German] [ACD/IUPAC Name]
2-Méthyl-3-(octylamino)propanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-3-(octylamino)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-methyl-3-(octylamino)propanoate
1221343-02-7 [RN]
2-Methyl-3-octylamino-propionic acid tert-butyl ester
atoms 19 bonds 18
MFCD14707482

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 343.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±3.0 kJ/mol
    Flash Point: 161.7±23.2 °C
    Index of Refraction: 1.446
    Molar Refractivity: 81.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 5.13
    ACD/LogD (pH 5.5): 1.94
    ACD/BCF (pH 5.5): 3.23
    ACD/KOC (pH 5.5): 10.86
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 24.32
    ACD/KOC (pH 7.4): 81.79
    Polar Surface Area: 38 Å2
    Polarizability: 32.3±0.5 10-24cm3
    Surface Tension: 29.9±3.0 dyne/cm
    Molar Volume: 305.4±3.0 cm3

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