ChemSpider 2D Image | 3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxido-2H-1,2,3-triazol-4-yl]amino}-1-propanol | C13H15N5O6

3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxido-2H-1,2,3-triazol-4-yl]amino}-1-propanol

  • Molecular FormulaC13H15N5O6
  • Average mass337.288 Da
  • Monoisotopic mass337.102234 Da
  • ChemSpider ID21481812

More details:






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

1-Propanol, 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxido-2H-1,2,3-triazol-4-yl]amino]- [ACD/Index Name]
3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxido-2H-1,2,3-triazol-4-yl]amino}-1-propanol [German] [ACD/IUPAC Name]
3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxido-2H-1,2,3-triazol-4-yl]amino}-1-propanol [ACD/IUPAC Name]
3-{[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxydo-2H-1,2,3-triazol-4-yl]amino}-1-propanol [French] [ACD/IUPAC Name]
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3-hydroxypropyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 653.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.2±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 79.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.33
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.52
Polar Surface Area: 140 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 77.8±7.0 dyne/cm
Molar Volume: 200.3±7.0 cm3

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