ChemSpider 2D Image | 4-[(4-Chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)-1-pyridiniumyl]methyl}phenyl)butyl]benzyl}pyridinium | C37H41ClN4

4-[(4-Chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)-1-pyridiniumyl]methyl}phenyl)butyl]benzyl}pyridinium

  • Molecular FormulaC37H41ClN4
  • Average mass577.200 Da
  • Monoisotopic mass576.300903 Da
  • ChemSpider ID31106141
  • Charge - Charge


More details:






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

4-[(4-Chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)-1-pyridiniumyl]methyl}phenyl)butyl]benzyl}pyridinium [ACD/IUPAC Name]
4-[(4-Chlorophényl)(méthyl)amino]-1-{4-[4-(4-{[4-(diméthylamino)-1-pyridiniumyl]méthyl}phényl)butyl]benzyl}pyridinium [French] [ACD/IUPAC Name]
4-[(4-Chlorphenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)-1-pyridiniumyl]methyl}phenyl)butyl]benzyl}pyridinium [German] [ACD/IUPAC Name]
Pyridinium, 4-[(4-chlorophenyl)methylamino]-1-[[4-[4-[4-[[4-(dimethylamino)pyridinio]methyl]phenyl]butyl]phenyl]methyl]- [ACD/Index Name]
10.1021/jm401665x

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 80.43
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 80.43
Polar Surface Area: 14 Å2
Polarizability:
Surface Tension:
Molar Volume:

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