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, trimethylsoya alkyl, chlorides
Inventory
- EC number:
- 263-134-0
- EC name:
- Quaternary ammonium compounds, trimethylsoya alkyl, chlorides
- CAS number:
- 61790-41-8
- CAS number:
- 61790-41-8
Synonyms
- Names:
- Identifier:
- common name
- N-(Soya alkyl)-N,N,N-trimethylammonium chloride
- Identifier:
- common name
- Soytrimonium chloride
- Identifier:
- other: Molecular formula
- C21H46N1Cl1 (Representative of C18)
- Identifier:
- other: SMILES notation
- C[N+](C)(CCCCCCCCCCCCCCCCCC)C.[Cl-] (Representative of C18)
- Identifier:
- other: InChl
- 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 (Representative of C18)
Molecular and structural information
- Molecular formula:
- Representative molecular formula of the major constituents, as the substance is an UVCB:
C21H46Cl1N1 (C18 carbon chain)
C21H44ClN (C18-unstatd. carbon chain) - Molecular weight:
- ca. 207.79 - ca. 404.17
- SMILES notation:
- Representative SMILES of the major constituents, as the substance is an UVCB:
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-] (C18 carbon chain)
CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)C.[Cl-] (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
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