ChemSpider 2D Image | Ethyl [(6-{[butyl(hexyl)amino]methyl}-1-octyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate | C28H50N2O4

Ethyl [(6-{[butyl(hexyl)amino]methyl}-1-octyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate

  • Molecular FormulaC28H50N2O4
  • Average mass478.708 Da
  • Monoisotopic mass478.377045 Da
  • ChemSpider ID123508287

More details:

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

[(6-{[Butyl(hexyl)amino]méthyl}-1-octyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[6-[(butylhexylamino)methyl]-1,4-dihydro-1-octyl-4-oxo-3-pyridinyl]oxy]-, ethyl ester [ACD/Index Name]
Ethyl [(6-{[butyl(hexyl)amino]methyl}-1-octyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate [ACD/IUPAC Name]
Ethyl-[(6-{[butyl(hexyl)amino]methyl}-1-octyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 564.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.3±30.1 °C
Index of Refraction: 1.506
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 8.70
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 430.96
ACD/KOC (pH 5.5): 357.16
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 2179.02
ACD/KOC (pH 7.4): 1805.85
Polar Surface Area: 59 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 472.9±5.0 cm3

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