ChemSpider 2D Image | 2-(6,6-Dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)-1H-3,1-benzimidazol-3-ium | C16H17N4O

2-(6,6-Dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)-1H-3,1-benzimidazol-3-ium

  • Molecular FormulaC16H17N4O
  • Average mass281.332 Da
  • Monoisotopic mass281.139679 Da
  • ChemSpider ID21215283

  • Charge - Charge

More details:

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

1H-3,1-Benzimidazolium, 2-(4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-1H-indazol-1-yl)- [ACD/Index Name]
2-(6,6-Dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)-1H-3,1-benzimidazol-3-ium [ACD/IUPAC Name]
2-(6,6-Dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)-1H-3,1-benzimidazol-3-ium [German] [ACD/IUPAC Name]
2-(6,6-Diméthyl-4-oxo-4,5,6,7-tétrahydro-1H-indazol-1-yl)-1H-3,1-benzimidazol-3-ium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 523.8±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.6±30.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.69
ACD/KOC (pH 5.5): 908.34
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.66
ACD/KOC (pH 7.4): 917.54
Polar Surface Area: 65 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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