ChemSpider 2D Image | 5-[(Chloroacetyl)amino]-1-methyl-1,2,4-triazolidine-3-carboxylic acid | C6H11ClN4O3

5-[(Chloroacetyl)amino]-1-methyl-1,2,4-triazolidine-3-carboxylic acid

  • Molecular FormulaC6H11ClN4O3
  • Average mass222.630 Da
  • Monoisotopic mass222.051971 Da
  • ChemSpider ID109349827

More details:

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

1,2,4-Triazolidine-3-carboxylic acid, 5-[(2-chloroacetyl)amino]-1-methyl- [ACD/Index Name]
5-[(Chloracetyl)amino]-1-methyl-1,2,4-triazolidin-3-carbonsäure [German] [ACD/IUPAC Name]
5-[(Chloroacetyl)amino]-1-methyl-1,2,4-triazolidine-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(2-chloroacétyl)amino]-1-méthyl-1,2,4-triazolidine-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 49.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 144.0±5.0 cm3

Click to predict properties on the Chemicalize site


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