ChemSpider 2D Image | (2E)-N-Oxo-3-{1-[(2E)-3-phenyl-2-propen-1-yl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}acrylamide | C14H14N4O2

(2E)-N-Oxo-3-{1-[(2E)-3-phenyl-2-propen-1-yl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}acrylamide

  • Molecular FormulaC14H14N4O2
  • Average mass270.287 Da
  • Monoisotopic mass270.111664 Da
  • ChemSpider ID57642745

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-Oxo-3-{1-[(2E)-3-phenyl-2-propen-1-yl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}acrylamid [German] [ACD/IUPAC Name]
(2E)-N-Oxo-3-{1-[(2E)-3-phenyl-2-propen-1-yl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}acrylamide [ACD/IUPAC Name]
(2E)-N-Oxo-3-{1-[(2E)-3-phényl-2-propén-1-yl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[2,3-dihydro-1-[(2E)-3-phenyl-2-propen-1-yl]-1H-1,2,3-triazol-4-yl]-N-oxo-, (2E)- [ACD/Index 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: 409.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.2±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 76.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.27
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 102.69
Polar Surface Area: 74 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 220.5±7.0 cm3

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