ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}-beta-alaninate | C13H23N5O3

2-Methyl-2-propanyl N-{[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}-β-alaninate

  • Molecular FormulaC13H23N5O3
  • Average mass297.353 Da
  • Monoisotopic mass297.180084 Da
  • ChemSpider ID30242486

More details:






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

2-Methyl-2-propanyl N-{[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}-β-alaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{[1-(4-Méthyl-4H-1,2,4-triazol-3-yl)éthyl]carbamoyl}-β-alaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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: 1.556
Molar Refractivity: 78.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 41.15
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 41.22
Polar Surface Area: 98 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 245.1±7.0 cm3

Click to predict properties on the Chemicalize site






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