Quinuclidinium, 1,1'-hexamethylenebis(3-benzyl-, dichloride

Base Information

• Chemical Name: Quinuclidinium, 1,1'-hexamethylenebis(3-benzyl-, dichloride
• CAS No.: 3563-63-1
• Molecular Formula: C34H50 N2 . 2 Cl
• Molecular Weight: 629.74132
• DSSTox Substance ID: DTXSID50957015
• Wikidata: Q4218442

Synonyms:Diquine;3563-63-1;Qualidil;Quinuclidinium, 1,1'-hexamethylenebis(3-benzyl-, dichloride;3-benzyl-1-[6-(3-benzyl-1-azoniabicyclo[2.2.2]octan-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane;dichloride;C34H50N2.2Cl;DTXSID50957015;C34-H50-N2.2Cl;AKOS015995600;Q4218442;1,1'-(Hexane-1,6-diyl)bis(3-benzyl-1-azabicyclo[2.2.2]octan-1-ium) dichloride

Chemical Property of Quinuclidinium, 1,1'-hexamethylenebis(3-benzyl-, dichloride

Chemical Property:

• Appearance/Colour: solid
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 0.67100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 556.3351050
• Heavy Atom Count: 38
• Complexity: 601

Purity/Quality:

98%Min ^*data from raw suppliers

Diquine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C[N+]2(CCC1C(C2)CC3=CC=CC=C3)CCCCCC[N+]45CCC(CC4)C(C5)CC6=CC=CC=C6.[Cl-].[Cl-]
• Uses: Diquine is a quaternary ammonium derivative (QAD) used in medicinal preparation.

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