ChemSpider 2D Image | 1-{3-[(4-Oxo-4H-chromen-7-yl)oxy]propyl}-4-(2-pyridiniumyl)piperazin-1-ium | C21H25N3O3

1-{3-[(4-Oxo-4H-chromen-7-yl)oxy]propyl}-4-(2-pyridiniumyl)piperazin-1-ium

  • Molecular FormulaC21H25N3O3
  • Average mass367.440 Da
  • Monoisotopic mass367.188507 Da
  • ChemSpider ID21219389

  • Charge - Charge

More details:

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

1-{3-[(4-Oxo-4H-chromen-7-yl)oxy]propyl}-4-(2-pyridiniumyl)piperazin-1-ium [ACD/IUPAC Name]
1-{3-[(4-Oxo-4H-chromen-7-yl)oxy]propyl}-4-(2-pyridiniumyl)piperazin-1-ium [German] [ACD/IUPAC Name]
1-{3-[(4-Oxo-4H-chromén-7-yl)oxy]propyl}-4-(2-pyridiniumyl)pipérazin-1-ium [French] [ACD/IUPAC Name]
Piperazinium, 1-[3-[(4-oxo-4H-1-benzopyran-7-yl)oxy]propyl]-4-(2-pyridiniumyl)- [ACD/Index Name]

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

Density:
Boiling Point: 575.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 302.0±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 5.61
ACD/KOC (pH 7.4): 66.76
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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