ChemSpider 2D Image | 3-(4-Bromo-1-methyl-1H-1,2,3-triazol-5-yl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid | C11H17BrN4O4

3-(4-Bromo-1-methyl-1H-1,2,3-triazol-5-yl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

  • Molecular FormulaC11H17BrN4O4
  • Average mass349.181 Da
  • Monoisotopic mass348.043304 Da
  • ChemSpider ID65566914

More details:

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

1H-1,2,3-Triazole-5-propanoic acid, 4-bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl- [ACD/Index Name]
3-(4-Brom-1-methyl-1H-1,2,3-triazol-5-yl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
3-(4-Bromo-1-methyl-1H-1,2,3-triazol-5-yl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
Acide 3-(4-bromo-1-méthyl-1H-1,2,3-triazol-5-yl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
1879702-93-8 [RN]
3-(4-bromo-1-methyl-1H-1,2,3-triazol-5-yl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 75.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 219.0±7.0 cm3

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