Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Cetalkonium chloride 122-18-9 31202
Structure Other Information
Canonical SMILES CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Iso SMILES CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
InChI Key SXPWTBGAZSPLHA-UHFFFAOYSA-M
Formula C25H46ClN
Mol Weight 396.092
XlogP3 0
Charge 0

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Synonyms Information
CAS Name hexadecyl-dimethyl-(phenylmethyl)ammonium chloride
IUPAC Name benzyl-hexadecyl-dimethyl-ammonium chloride
Openeye Name benzyl-hexadecyl-dimethylazanium chloride
Systematic Name hexadecyl-dimethyl-(phenylmethyl)azanium chloride
Tratitional Name hexadecyl-dimethyl-(phenylmethyl)azanium chloride