ChemSpider 2D Image | Ethyl (2E)-2-{[(4-carbamoyl-1,2,5-oxadiazol-3-yl)amino]methylene}-3-oxobutanoate | C10H12N4O5

Ethyl (2E)-2-{[(4-carbamoyl-1,2,5-oxadiazol-3-yl)amino]methylene}-3-oxobutanoate

  • Molecular FormulaC10H12N4O5
  • Average mass268.226 Da
  • Monoisotopic mass268.080780 Da
  • ChemSpider ID21211354
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-{[(4-Carbamoyl-1,2,5-oxadiazol-3-yl)amino]méthylène}-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[[4-(aminocarbonyl)-1,2,5-oxadiazol-3-yl]amino]methylene]-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-{[(4-carbamoyl-1,2,5-oxadiazol-3-yl)amino]methylene}-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-(2E)-2-{[(4-carbamoyl-1,2,5-oxadiazol-3-yl)amino]methylen}-3-oxobutanoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 451.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.8±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 62.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.29
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.29
Polar Surface Area: 137 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 189.9±3.0 cm3

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