Benzododecinium

Base Information

• Chemical Name: Benzododecinium
• CAS No.: 5459-84-7
• Deprecated CAS: 12040-60-7,1340-95-0,1340-95-0,1427630-38-3
• Molecular Formula: C22H42NO3S+
• Molecular Weight: 96.10566
• NSC Number: 9660,9658
• UNII: N0BN0O8CSL
• DSSTox Substance ID: DTXSID60872947
• Nikkaji Number: J9.814K
• Wikidata: Q27284345
• NCI Thesaurus Code: C79723
• Metabolomics Workbench ID: 154107
• ChEMBL ID: CHEMBL1907001
• Mol file: 5459-84-7.mol

Synonyms:ADB-12;Ajatin;benzododecinium;benzyl dimethyl dodecyl ammonium;benzyldimethyldodecylammonium bromide;benzyldodecyldimethylammonium chloride;BZK-C12;dimethyldodecylbenzylammonium;dimethyldodecylbenzylammonium bromide;dimethyldodecylbenzylammonium chloride;dimethyldodecylbenzylammonium maleate (2:1);dimethyldodecylbenzylammonium nitrate;dodecyldimethylbenzylammonium chloride;Sterinol

Chemical Property of Benzododecinium

Chemical Property:

• PSA: 0.00000
• LogP: 6.18390
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 304.300425216
• Heavy Atom Count: 22
• Complexity: 240

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1