ChemSpider 2D Image | Methyl (2E)-3-(5-amino-1H-1,2,4-triazol-3-yl)acrylate | C6H8N4O2

Methyl (2E)-3-(5-amino-1H-1,2,4-triazol-3-yl)acrylate

  • Molecular FormulaC6H8N4O2
  • Average mass168.153 Da
  • Monoisotopic mass168.064728 Da
  • ChemSpider ID72382431

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(5-Amino-1H-1,2,4-triazol-3-yl)acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(5-amino-1H-1,2,4-triazol-3-yl)-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-(5-amino-1H-1,2,4-triazol-3-yl)acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-(5-amino-1H-1,2,4-triazol-3-yl)acrylat [German] [ACD/IUPAC Name]
(Z)-Methyl 3-(5-amino-1H-1,2,4-triazol-3-yl)acrylate
1379821-54-1 [RN]
MFCD22374850 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 401.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 196.7±29.3 °C
Index of Refraction: 1.661
Molar Refractivity: 43.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.39
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.47
Polar Surface Area: 94 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 77.5±3.0 dyne/cm
Molar Volume: 117.4±3.0 cm3

Click to predict properties on the Chemicalize site


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