ChemSpider 2D Image | Methyl {[1-(2-hydroxyethyl)-6-{[(4-methoxy-3-nitrophenyl)amino]methyl}-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetate | C18H21N3O8

Methyl {[1-(2-hydroxyethyl)-6-{[(4-methoxy-3-nitrophenyl)amino]methyl}-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetate

  • Molecular FormulaC18H21N3O8
  • Average mass407.375 Da
  • Monoisotopic mass407.132874 Da
  • ChemSpider ID123703436

More details:

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

{[1-(2-Hydroxyéthyl)-6-{[(4-méthoxy-3-nitrophényl)amino]méthyl}-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[1,4-dihydro-1-(2-hydroxyethyl)-6-[[(4-methoxy-3-nitrophenyl)amino]methyl]-4-oxo-3-pyridinyl]oxy]-, methyl ester [ACD/Index Name]
Methyl {[1-(2-hydroxyethyl)-6-{[(4-methoxy-3-nitrophenyl)amino]methyl}-4-oxo-1,4-dihydro-3-pyridinyl]oxy}acetate [ACD/IUPAC Name]
Methyl-{[1-(2-hydroxyethyl)-6-{[(4-methoxy-3-nitrophenyl)amino]methyl}-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: 1.4±0.1 g/cm3
Boiling Point: 651.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.6±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.23
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.88
ACD/KOC (pH 7.4): 54.63
Polar Surface Area: 143 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 288.5±5.0 cm3

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