Registration Dossier
Registration Dossier
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EC number: 939-616-8 | CAS number: 68391-03-7
Reference substances
- IUPAC name:
- Quaternary ammonium compounds, C18 and C18 (unsaturated) alkyltrimethyl, chlorides
Inventory
Synonyms
- Names:
- Identifier:
- common name
- Oleyl TMAC
- Identifier:
- common name
- Oleyltrimethylammonium chloride (CAS 10450-69-8; EC 233-938-6)
- Identifier:
- common name
- Trimethyloleylammonium chloride
Molecular and structural information
- Molecular formula:
- Representative molecular formula of the major constituents, as the substance is an UVCB:
C21H46N.Cl (C18 carbon chain)
C21H44N.Cl (C18-unsatd. carbon chain) - Molecular weight:
- ca. 235.84 - ca. 348.06
- SMILES notation:
- Representative SMILEs of the major constituents, as the substance is an UVCB:
[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C (C18 carbon chain)
[Cl-].C(=C\CCCCCCCC[N+](C)(C)C)\CCCCCCCC (C18-unsatd. carbon chain) - InChl:
- Representative InChI of the major constituents, as the substance is an UVCB:
InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1 (C18 carbon chain)
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- (C18-unsatd. carbon chain) - Structural formula:
Related substances
- Identifier:
- EC name
- Identity:
- N,N,N-Trimethyl-1-octadecanaminium chloride (C18 carbon chain)(9Z)-N,N,N-Trimethyl-9-octadecen-1-aminium chloride (C18-unsatd. carbon chain)
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