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Reference substances

Reference substances

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General information

Inventory

EC number:
204-526-3
EC name:
Cetalkonium chloride
CAS number:
122-18-9

No inventory information available

Reference substance information

IUPAC name:
benzyl-hexadecyl-dimethylazanium;chloride

Synonyms
Names:
Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride
Identifier:
IUPAC name
N-Benzyl-N,N-dimethyl-1-hexadecanaminium chloride
Identifier:
IUPAC name
N-benzyl-N,N-dimethylhexadecan-1-aminium chloride
Identifier:
other: InChl
InChI=1/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
Identifier:
other: SMILES notation
[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1

CAS information

CAS number:
122-18-9

Molecular and structural information

Molecular formula:
C25H46N.Cl
Molecular weight:
396.092
SMILES notation:
[Cl-].c1ccccc1C[N+](C)(CCCCCCCCCCCCCCCC)C
InChl:
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
Structural formula:
Chemical structure