Registration Dossier

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
N,N,N-trimethyldocosan-1-aminium methyl sulfate

Inventory

EC number:
279-791-1
EC name:
Docosyltrimethylammonium methyl sulphate
CAS number:
81646-13-1
CAS number:
81646-13-1
Synonyms
Names:
Identifier:
IUPAC name
1-Docosanaminium, N,N,N-trimethyl-, methyl sulfate
Identifier:
IUPAC name
Behenyltrimethylammonium methosulfate
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.O=S(OC)([O-])=O
Identifier:
other: InChl
InChI=1S/C25H54N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;1-5-6(2,3)4/h5-25H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
N,N,N-trimethyldocosan-1-aminium methyl sulfate

Molecular and structural information

Molecular formula:
C25H54N.CH3O4S
Molecular weight:
479.8
SMILES notation:
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]
InChl:
InChI=1/C25H54N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;1-5-6(2,3)4/h5-25H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
Structural formula:
Chemical structure

Related substances