ChemSpider 2D Image | Ethyl 2-{[N-(2-furylmethyl)-beta-alanyl]amino}benzoate | C17H20N2O4

Ethyl 2-{[N-(2-furylmethyl)-β-alanyl]amino}benzoate

  • Molecular FormulaC17H20N2O4
  • Average mass316.352 Da
  • Monoisotopic mass316.142303 Da
  • ChemSpider ID46477436

More details:






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

2-{[N-(2-Furylméthyl)-β-alanyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[3-[(2-furanylmethyl)amino]-1-oxopropyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-{[N-(2-furylmethyl)-β-alanyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-2-{[N-(2-furylmethyl)-β-alanyl]amino}benzoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 513.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.6±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.62
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 28.91
ACD/KOC (pH 7.4): 295.48
Polar Surface Area: 81 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 262.2±3.0 cm3

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