ChemSpider 2D Image | Ethyl (2E)-2-[amino(phenyl)methylene]-3-oxobutanoate | C13H15NO3

Ethyl (2E)-2-[amino(phenyl)methylene]-3-oxobutanoate

  • Molecular FormulaC13H15NO3
  • Average mass233.263 Da
  • Monoisotopic mass233.105194 Da
  • ChemSpider ID24731907

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[Amino(phényl)méthylène]-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-(aminophenylmethylene)-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-[amino(phenyl)methylene]-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-(2E)-2-[amino(phenyl)methylen]-3-oxobutanoat [German] [ACD/IUPAC Name]
495417-87-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 373.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 165.9±24.2 °C
Index of Refraction: 1.545
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.87
ACD/KOC (pH 5.5): 204.45
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.87
ACD/KOC (pH 7.4): 204.54
Polar Surface Area: 69 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 203.9±3.0 cm3

Click to predict properties on the Chemicalize site


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