ChemSpider 2D Image | Hexyl [(6-{[bis(2-methoxyethyl)amino]methyl}-1-octyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate | C28H50N2O6

Hexyl [(6-{[bis(2-methoxyethyl)amino]methyl}-1-octyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate

  • Molecular FormulaC28H50N2O6
  • Average mass510.706 Da
  • Monoisotopic mass510.366882 Da
  • ChemSpider ID124006622

More details:

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

[(6-{[Bis(2-méthoxyéthyl)amino]méthyl}-1-octyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acétate d'hexyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[6-[[bis(2-methoxyethyl)amino]methyl]-1,4-dihydro-1-octyl-4-oxo-3-pyridinyl]oxy]-, hexyl ester [ACD/Index Name]
Hexyl [(6-{[bis(2-methoxyethyl)amino]methyl}-1-octyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate [ACD/IUPAC Name]
Hexyl-[(6-{[bis(2-methoxyethyl)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: 1.1±0.1 g/cm3
Boiling Point: 596.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.8±30.1 °C
Index of Refraction: 1.506
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 72.07
ACD/KOC (pH 5.5): 170.71
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 3573.30
ACD/KOC (pH 7.4): 8464.04
Polar Surface Area: 78 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 484.9±5.0 cm3

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