Benzoquinonium

Base Information

• Chemical Name: Benzoquinonium
• CAS No.: 7554-16-7
• Molecular Formula: C34H50 N4 O2
• Molecular Weight: 0
• European Community (EC) Number: 232-800-2
• UNII: T91WJ82JOZ
• DSSTox Substance ID: DTXSID60997003
• Nikkaji Number: J535.192H
• Wikidata: Q27289827
• NCI Thesaurus Code: C78768
• Metabolomics Workbench ID: 49043
• ChEMBL ID: CHEMBL1358790
• Mol file: 7554-16-7.mol

Synonyms:(2,5-benzoquinonylenebisiminotrimethylene)bis(benzyldiethylammonium);benzoquinonium;benzoquinonium dichloride;Mytolon chloride;WIN 2747;WIN-2747

Chemical Property of Benzoquinonium

Chemical Property:

• PSA: 58.20000
• LogP: 5.76080
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 546.39337685
• Heavy Atom Count: 40
• Complexity: 774

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3

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