ChemSpider 2D Image | {4-[Bis(2-amino-2-oxoethyl)carbamoyl]-1H-1,2,3-triazol-1-yl}acetic acid | C9H12N6O5

{4-[Bis(2-amino-2-oxoethyl)carbamoyl]-1H-1,2,3-triazol-1-yl}acetic acid

  • Molecular FormulaC9H12N6O5
  • Average mass284.229 Da
  • Monoisotopic mass284.086914 Da
  • ChemSpider ID49349927

More details:

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

{4-[Bis(2-amino-2-oxoethyl)carbamoyl]-1H-1,2,3-triazol-1-yl}acetic acid [ACD/IUPAC Name]
{4-[Bis(2-amino-2-oxoethyl)carbamoyl]-1H-1,2,3-triazol-1-yl}essigsäure [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-acetic acid, 4-[[bis(2-amino-2-oxoethyl)amino]carbonyl]- [ACD/Index Name]
Acide {4-[bis(2-amino-2-oxoéthyl)carbamoyl]-1H-1,2,3-triazol-1-yl}acétique [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: 798.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 436.6±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: -4.62
ACD/LogD (pH 5.5): -5.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.30
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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