ChemSpider 2D Image | Ethyl (3-{[(4-chlorophenyl)amino]methyl}-1H-1,2,4-triazol-5-yl)acetate | C13H15ClN4O2

Ethyl (3-{[(4-chlorophenyl)amino]methyl}-1H-1,2,4-triazol-5-yl)acetate

  • Molecular FormulaC13H15ClN4O2
  • Average mass294.737 Da
  • Monoisotopic mass294.088348 Da
  • ChemSpider ID21787618

More details:

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

(3-{[(4-Chlorophényl)amino]méthyl}-1H-1,2,4-triazol-5-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-5-acetic acid, 3-[[(4-chlorophenyl)amino]methyl]-, ethyl ester [ACD/Index Name]
Ethyl (3-{[(4-chlorophenyl)amino]methyl}-1H-1,2,4-triazol-5-yl)acetate [ACD/IUPAC Name]
Ethyl-(3-{[(4-chlorphenyl)amino]methyl}-1H-1,2,4-triazol-5-yl)acetat [German] [ACD/IUPAC Name]
ethyl 2-(3-(((4-chlorophenyl)amino)methyl)-1H-1,2,4-triazol-5-yl)acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.6±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.49
ACD/KOC (pH 5.5): 465.60
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.41
ACD/KOC (pH 7.4): 464.58
Polar Surface Area: 80 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 215.6±3.0 cm3

Click to predict properties on the Chemicalize site


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