ChemSpider 2D Image | Ethyl 1-(4-amino-1,2,5-oxadiazolidin-3-yl)-5-{[(2-pyridinylmethyl)amino]methyl}-1,2,3-triazolidine-4-carboxylate | C14H24N8O3

Ethyl 1-(4-amino-1,2,5-oxadiazolidin-3-yl)-5-{[(2-pyridinylmethyl)amino]methyl}-1,2,3-triazolidine-4-carboxylate

  • Molecular FormulaC14H24N8O3
  • Average mass352.392 Da
  • Monoisotopic mass352.197144 Da
  • ChemSpider ID109495958

More details:

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

1-(4-Amino-1,2,5-oxadiazolidin-3-yl)-5-{[(2-pyridinylméthyl)amino]méthyl}-1,2,3-triazolidine-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1,2,3-Triazolidine-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazolidin-3-yl)-5-[[(2-pyridinylmethyl)amino]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-amino-1,2,5-oxadiazolidin-3-yl)-5-{[(2-pyridinylmethyl)amino]methyl}-1,2,3-triazolidine-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-(4-amino-1,2,5-oxadiazolidin-3-yl)-5-{[(2-pyridinylmethyl)amino]methyl}-1,2,3-triazolidin-4-carboxylat [German] [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: 491.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.3±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 89.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -5.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 279.3±3.0 cm3

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