ChemSpider 2D Image | Methyl (2E)-2-{[(E)-(3-nitrobenzylidene)amino]methyl}-3-phenylacrylate | C18H16N2O4

Methyl (2E)-2-{[(E)-(3-nitrobenzylidene)amino]methyl}-3-phenylacrylate

  • Molecular FormulaC18H16N2O4
  • Average mass324.331 Da
  • Monoisotopic mass324.110992 Da
  • ChemSpider ID24741464

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{[(E)-(3-Nitrobenzylidène)amino]méthyl}-3-phénylacrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-[[[(1E)-(3-nitrophenyl)methylene]amino]methyl]-3-phenyl-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-2-{[(E)-(3-nitrobenzylidene)amino]methyl}-3-phenylacrylate [ACD/IUPAC Name]
Methyl-(2E)-2-{[(E)-(3-nitrobenzyliden)amino]methyl}-3-phenylacrylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 473.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.2±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 91.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 661.55
ACD/KOC (pH 5.5): 3627.77
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 666.43
ACD/KOC (pH 7.4): 3654.56
Polar Surface Area: 84 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 278.3±7.0 cm3

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