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Reference substances

Reference substances

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IUPAC name:
Quaternary ammonium compounds, C12-14 (even-numbered)-alkylethyldimethyl, ethyl sulphates

Inventory

Synonyms

Molecular and structural information

Molecular formula:
Representative molecular formula of the major constituents, as the substance is an UVCB:
C12 ADMAES: C18H41N1O4S1
C14 ADMAES: C20H45N1O4S1
Molecular weight:
ca. 311.5 - ca. 451.8
SMILES notation:
Representative SMILES of the major constituents, as the substance is an UVCB:
C12 ADMAES: C(CCCCCCCCCCC)N{+}(C)(C)(CC)O{-}S(=O)(=O)OCC
C14 ADMAES: C(CCCCCCCCCCCCC)N{+}(C)(C)(CC)O{-}S(=O)(=O)OCC
InChl:
Representative InChI of the major constituents, as the substance is an UVCB:
C12 ADMAES: InChI=1S/C16H36N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;1-2-6-7(3,4)5/h5-16H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
C14 ADMAES: InChI=1S/C18H40N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3,4)6-2;1-2-6-7(3,4)5/h5-18H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
68308-64-5