ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazolidin-3-yl)-5-[(4-ethyl-1-piperazinyl)methyl]-1,2,3-triazolidine-4-carboxylic acid | C12H26N8O3

1-(4-Amino-1,2,5-oxadiazolidin-3-yl)-5-[(4-ethyl-1-piperazinyl)methyl]-1,2,3-triazolidine-4-carboxylic acid

  • Molecular FormulaC12H26N8O3
  • Average mass330.387 Da
  • Monoisotopic mass330.212799 Da
  • ChemSpider ID113638633

More details:

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

1-(4-Amino-1,2,5-oxadiazolidin-3-yl)-5-[(4-ethyl-1-piperazinyl)methyl]-1,2,3-triazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazolidin-3-yl)-5-[(4-ethyl-1-piperazinyl)methyl]-1,2,3-triazolidine-4-carboxylic acid [ACD/IUPAC Name]
1,2,3-Triazolidine-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazolidin-3-yl)-5-[(4-ethyl-1-piperazinyl)methyl]- [ACD/Index Name]
Acide 1-(4-amino-1,2,5-oxadiazolidin-3-yl)-5-[(4-éthyl-1-pipérazinyl)méthyl]-1,2,3-triazolidine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 262.5±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.41
ACD/LogD (pH 5.5): -6.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 256.9±3.0 cm3

Click to predict properties on the Chemicalize site


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