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Reference substances

Reference substances

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General information

Inventory

EC number:
203-928-6
EC name:
Cetrimonium chloride
CAS number:
112-02-7

No inventory information available

Reference substance information

IUPAC name:
N,N,N-trimethylhexadecan-1-aminium chloride
Synonyms
Names:
1-Hexadecanaminium, N,N,N-trimethyl-, chloride
Identifier:
other: SMILES notation
[Cl-].[N+](CCCCCCCCCCCCCCCC)(C)(C)C

CAS information

CAS number:
112-02-7

Molecular and structural information

Molecular formula:
C19H42N.Cl
Molecular weight:
319.997
SMILES notation:
[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C
InChl:
InChI=1/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
Structural formula:
Chemical structure