ChemSpider 2D Image | N~3~-{[2-(4-Ethyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}-N,N~3~-dimethyl-beta-alaninamide | C12H22N6O2

N3-{[2-(4-Ethyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}-N,N3-dimethyl-β-alaninamide

  • Molecular FormulaC12H22N6O2
  • Average mass282.342 Da
  • Monoisotopic mass282.180420 Da
  • ChemSpider ID58194266

More details:






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

N3-{[2-(4-Ethyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}-N,N3-dimethyl-β-alaninamid [German] [ACD/IUPAC Name]
N3-{[2-(4-Ethyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}-N,N3-dimethyl-β-alaninamide [ACD/IUPAC Name]
N3-{[2-(4-Éthyl-4H-1,2,4-triazol-3-yl)éthyl]carbamoyl}-N,N3-diméthyl-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[[[[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]amino]carbonyl]methylamino]-N-methyl- [ACD/Index Name]
3-[({[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]amino}carbonyl)(methyl)amino]-N-methylpropanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 76.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.15
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): 10.46
Polar Surface Area: 92 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 229.7±7.0 cm3

Click to predict properties on the Chemicalize site






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