ChemSpider 2D Image | 2-{[Ethyl(2-hydroxyethyl)amino]methyl}-1-isobutyl-5-[(2,3,6-trichlorobenzyl)oxy]-4(1H)-pyridinone | C21H27Cl3N2O3

2-{[Ethyl(2-hydroxyethyl)amino]methyl}-1-isobutyl-5-[(2,3,6-trichlorobenzyl)oxy]-4(1H)-pyridinone

  • Molecular FormulaC21H27Cl3N2O3
  • Average mass461.810 Da
  • Monoisotopic mass460.108734 Da
  • ChemSpider ID123993478

More details:

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

2-{[Ethyl(2-hydroxyethyl)amino]methyl}-1-isobutyl-5-[(2,3,6-trichlorbenzyl)oxy]-4(1H)-pyridinon [German] [ACD/IUPAC Name]
2-{[Ethyl(2-hydroxyethyl)amino]methyl}-1-isobutyl-5-[(2,3,6-trichlorobenzyl)oxy]-4(1H)-pyridinone [ACD/IUPAC Name]
2-{[Éthyl(2-hydroxyéthyl)amino]méthyl}-1-isobutyl-5-[(2,3,6-trichlorobenzyl)oxy]-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[[ethyl(2-hydroxyethyl)amino]methyl]-1-(2-methylpropyl)-5-[(2,3,6-trichlorophenyl)methoxy]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.8±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 119.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 11.11
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 89.11
ACD/KOC (pH 7.4): 353.83
Polar Surface Area: 53 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 349.4±5.0 cm3

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