ChemSpider 2D Image | {2-Cyano-2-[(4R,5R)-4-methyl-1-phenyl-4,5-dihydro-1H-1,2,3-triazol-5-yl]vinyl}azanide | C12H12N5

{2-Cyano-2-[(4R,5R)-4-methyl-1-phenyl-4,5-dihydro-1H-1,2,3-triazol-5-yl]vinyl}azanide

  • Molecular FormulaC12H12N5
  • Average mass226.258 Da
  • Monoisotopic mass226.109818 Da
  • ChemSpider ID77408559

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{2-Cyan-2-[(4R,5R)-4-methyl-1-phenyl-4,5-dihydro-1H-1,2,3-triazol-5-yl]vinyl}azanid [German] [ACD/IUPAC Name]
{2-Cyano-2-[(4R,5R)-4-methyl-1-phenyl-4,5-dihydro-1H-1,2,3-triazol-5-yl]vinyl}azanide [ACD/IUPAC Name]
{2-Cyano-2-[(4R,5R)-4-méthyl-1-phényl-4,5-dihydro-1H-1,2,3-triazol-5-yl]vinyl}azanide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-5-acetonitrile, α-(aminomethylene)-4,5-dihydro-4-methyl-1-phenyl-, ion(1-), (4R,5R)- [ACD/Index Name]

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

Density:
Boiling Point: 451.2±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: 226.7±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.89
ACD/KOC (pH 5.5): 251.86
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.90
ACD/KOC (pH 7.4): 252.13
Polar Surface Area: 52 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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