Registration Dossier
Registration Dossier
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EC number: 263-134-0 | CAS number: 61790-41-8
Reference substances
- IUPAC name:
- Quaternary ammonium compounds, (C16-18 and C18-unsatd. alkyl) trimethyl, chlorides
Inventory
- EC number:
- 268-074-9
- EC name:
- Quaternary ammonium compounds, (C16-18 and C18-unsatd. alkyl)trimethyl, chlorides
- CAS number:
- 68002-61-9
- Description:
- This substance is identified by SDA Substance Name: C16-C18 and C18 unsaturated alkyl trimethyl ammonium chloride and SDA Reporting Number: 11-045-00.
- CAS number:
- 68002-61-9
Synonyms
- Names:
- Identifier:
- CAS number
- 8030-78-2
- Identifier:
- EC number
- 232-447-4
- Identifier:
- IUPAC name
- Quaternary ammonium compounds, C16-18 and C18-unsatd., (even numbered) alkyl trimethyl, chlorides
Molecular and structural information
- Molecular formula:
- Representative molecular formula of the major constituents, as the substance is an UVCB:
C16 TMAC: C19H42CL1N1
C18 TMAC: C21H46CL1N1
C18-unsatd. TMAC: C21H44CL1N1 - Molecular weight:
- ca. 207.79 - ca. 348.06
- SMILES notation:
- Representative SMILES of the major constituents, as the substance is an UVCB:
C16 TMAC: CCCCCCCCCCCCCCCCN(CL)(C)(C)(C)
C18 TMAC: CCCCCCCCCCCCCCCCCCN(CL)(C)(C)(C)
C18-unsatd. TMAC: CCCCCCCCC=CCCCCCCCCN(CL)(C)(C)(C) - InChl:
- Representative InChI of the major constituents, as the substance is an UVCB:
C16 TMAC: InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
C18 TMAC: 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-unsatd. TMAC: 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:
Related substances
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