Benzyldimethylhexadecylammonium chloride

• Catalog Number: ACM122189-3
• Product Name: Benzyldimethylhexadecylammonium chloride
• CAS: 122-18-9
• Synonyms: Cetyl zephiran
• Category: Chloride Series; High Purity Quaternary Ammonium Salt; Fungicides
• IUPAC Name: Benzyl-hexadecyl-dimethylazanium;chloride
• Molecular Weight: 396.09
• Molecular Formula: C25H46ClN
• Canonical 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
• InChIKey: SXPWTBGAZSPLHA-UHFFFAOYSA-M
• Melting Point: 55-65 °C
• Purity: 99%
• Appearance: White powder
• Storage: Room Temperature
• Isomeric SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• Refractive Index: 1.6
• Topological Polar Surface Area: 0 Ų