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Reference substances

Reference substances

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General information

Inventory

EC number:
204-527-9
EC name:
Benzyldimethyl(octadecyl)ammonium chloride
CAS number:
122-19-0

No inventory information available

Reference substance information

IUPAC name:
benzyl-dimethyl-octadecylazanium;chloride
Synonyms
Names:
Benzenemethanaminium, N,N-dimethyl-N-octadecyl-, chloride
Identifier:
IUPAC name
N-benzyl-N,N-dimethyloctadecan-1-aminium chloride
Identifier:
IUPAC name
benzyldimethyl(octadecyl)ammonium chloride
Identifier:
other: InChl
InChI=1/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
Identifier:
other: SMILES notation
[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1

CAS information

CAS number:
122-19-0

Molecular and structural information

Molecular formula:
C27H50N.Cl
Molecular weight:
424.146
SMILES notation:
[Cl-].c1ccccc1C[N+](C)(CCCCCCCCCCCCCCCCCC)C
InChl:
InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
Structural formula:
Chemical structure