ChemSpider 2D Image | 1-{2-[Bis(2-amino-2-oxoethyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxylic acid | C9H12N6O5

1-{2-[Bis(2-amino-2-oxoethyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC9H12N6O5
  • Average mass284.229 Da
  • Monoisotopic mass284.086914 Da
  • ChemSpider ID49349154

More details:

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

1-{2-[Bis(2-amino-2-oxoethyl)amino]-2-oxoethyl}-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-{2-[Bis(2-amino-2-oxoethyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]- [ACD/Index Name]
Acide 1-{2-[bis(2-amino-2-oxoéthyl)amino]-2-oxoéthyl}-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: 1.8±0.1 g/cm3
Boiling Point: 776.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.1±35.7 °C
Index of Refraction: 1.725
Molar Refractivity: 63.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -4.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 93.3±7.0 dyne/cm
Molar Volume: 160.1±7.0 cm3

Click to predict properties on the Chemicalize site


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