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

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

  • Molecular FormulaC28H50N2O6
  • Average mass510.706 Da
  • Monoisotopic mass510.366882 Da
  • ChemSpider ID124014241

More details:

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

[(6-{[Bis(2-hydroxyéthyl)amino]méthyl}-1-décyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acétate d'hexyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]-1-decyl-1,4-dihydro-4-oxo-3-pyridinyl]oxy]-, hexyl ester [ACD/Index Name]
Hexyl [(6-{[bis(2-hydroxyethyl)amino]methyl}-1-decyl-4-oxo-1,4-dihydro-3-pyridinyl)oxy]acetate [ACD/IUPAC Name]
Hexyl-[(6-{[bis(2-hydroxyethyl)amino]methyl}-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: 1.1±0.1 g/cm3
Boiling Point: 646.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±6.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.526
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 92.71
ACD/KOC (pH 5.5): 158.62
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 4349.60
ACD/KOC (pH 7.4): 7442.19
Polar Surface Area: 100 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 467.4±5.0 cm3

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