Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Benzalkonium chloride / BAK 10328-35-5 8754
Structure Other Information
Canonical SMILES CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
Iso SMILES CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
InChI InChI=1S/C21H38N/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3/q+1
InChI Key CYDRXTMLKJDRQH-UHFFFAOYSA-N
Formula C21H38N+
Mol Weight 304.5
XlogP3 7.4
Charge 1

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Synonyms Information
CAS Name benzyl-dodecyl-dimethylazanium
IUPAC Name benzyl-dodecyl-dimethylazanium
Openeye Name benzyl-dodecyl-dimethylazanium
Systematic Name benzyl-dodecyl-dimethylazanium
Tratitional Name benzyl-dodecyl-dimethylazanium