ChemSpider 2D Image | Hexyl {[6-(1-azepanylmethyl)-1-decyl-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetate | C30H52N2O4

Hexyl {[6-(1-azepanylmethyl)-1-decyl-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetate

  • Molecular FormulaC30H52N2O4
  • Average mass504.745 Da
  • Monoisotopic mass504.392700 Da
  • ChemSpider ID124016273

More details:

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

{[6-(1-Azépanylméthyl)-1-décyl-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acétate d'hexyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[1-decyl-6-[(hexahydro-1H-azepin-1-yl)methyl]-1,4-dihydro-4-oxo-3-pyridinyl]oxy]-, hexyl ester [ACD/Index Name]
Hexyl {[6-(1-azepanylmethyl)-1-decyl-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetate [ACD/IUPAC Name]
Hexyl-{[6-(1-azepanylmethyl)-1-decyl-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: 598.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 9.47
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 2860.40
ACD/KOC (pH 5.5): 1858.29
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 135221.52
ACD/KOC (pH 7.4): 87848.08
Polar Surface Area: 59 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 486.3±5.0 cm3

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