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Reference substances

Reference substances

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General information

Inventory

EC number:
233-938-6
EC name:
Trimethyloleylammonium chloride
CAS number:
10450-69-8

No inventory information available

Reference substance information

IUPAC name:
(Z)-N,N,N-Trimethyl-9-octadecen-1-aminium chloride
Synonyms
Names:
9-Octadecen-1-aminium, N,N,N-trimethyl-, chloride, (9Z)-
Identifier:
IUPAC name
N,N,N-trimethyloctadec-9-en-1-aminium chloride
Identifier:
other: Molecular formula
C21H44N.Cl
Identifier:
other: InChl
InChI=1/C21H44N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h12-13H,5-11,14-21H2,1-4H3;1H/q+1;/p-1
Identifier:
other: SMILES notation
[Cl-].CCCCCCCC\C=C/CCCCCCCC[N+](C)(C)C

CAS information

CAS number:
10450-69-8

Molecular and structural information

Molecular formula:
C21H44ClN
Molecular weight:
ca. 346
SMILES notation:
CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)C.[Cl-]
InChl:
InChI=1S/C21H44N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h12-13H,5-11,14-21H2,1-4H3;1H/q+1;/p-1/b13-12-;
Structural formula:
Chemical structure