ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide | C18H21N5O5

N-[2-(1-Cyclohexen-1-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide

  • Molecular FormulaC18H21N5O5
  • Average mass387.390 Da
  • Monoisotopic mass387.154266 Da
  • ChemSpider ID21481814

More details:

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

2H-1,2,3-Triazol-4-amine, N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-, 3-oxide [ACD/Index Name]
3-Oxyde de N-[2-(1-cyclohexén-1-yl)éthyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2H-1,2,3-triazol-4-amine [French] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2H-1,2,3-triazol-4-amin-3-oxid [German] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide [ACD/IUPAC Name]
5-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: 1.5±0.1 g/cm3
Boiling Point: 635.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.2±34.3 °C
Index of Refraction: 1.701
Molar Refractivity: 98.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.11
ACD/KOC (pH 5.5): 218.80
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.27
ACD/KOC (pH 7.4): 221.45
Polar Surface Area: 120 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 254.8±7.0 cm3

Click to predict properties on the Chemicalize site


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