ChemSpider 2D Image | 1-{2-[(N-Carbamoylalanyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid | C9H14N6O4

1-{2-[(N-Carbamoylalanyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC9H14N6O4
  • Average mass270.245 Da
  • Monoisotopic mass270.107666 Da
  • ChemSpider ID49245324

More details:

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

1-{2-[(N-Carbamoylalanyl)amino]ethyl}-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-{2-[(N-Carbamoylalanyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[2-[[2-[(aminocarbonyl)amino]-1-oxopropyl]amino]ethyl]- [ACD/Index Name]
Acide 1-{2-[(N-carbamoylalanyl)amino]éthyl}-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]

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: 1.693
Molar Refractivity: 62.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 75.4±7.0 dyne/cm
Molar Volume: 163.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement