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Search term: YPGQPURRVBVHDJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide | C13H15N5O6

2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide

  • Molecular FormulaC13H15N5O6
  • Average mass337.288 Da
  • Monoisotopic mass337.102234 Da
  • ChemSpider ID21481813

More details:

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

2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-5-nitro-2H-1,2,3-triazol-4-amin-3-oxid [German] [ACD/IUPAC Name]
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide [ACD/IUPAC Name]
2H-1,2,3-Triazol-4-amine, 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-5-nitro-, 3-oxide [ACD/Index Name]
3-Oxyde de 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-méthoxyéthyl)-5-nitro-2H-1,2,3-triazol-4-amine [French] [ACD/IUPAC Name]
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methoxyethyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 595.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.9±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 79.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.27
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.40
Polar Surface Area: 129 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 68.8±7.0 dyne/cm
Molar Volume: 208.6±7.0 cm3

Click to predict properties on the Chemicalize site


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