Registration Dossier
Registration Dossier
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EC number: 296-019-9 | CAS number: 92201-88-2
Reference substances
- IUPAC name:
- Imidazolium compounds, 2-(C9-19 and C9-19-unsatd. alkyl)-1-[(C10-20 and C10-20-unsatd. amido)ethyl]-4,5-dihydro-1-Me, Me sulfates
Inventory
- EC number:
- 296-019-9
- EC name:
- Imidazolium compounds, 2-(C9-19 and C9-19-unsatd. alkyl)-1-[(C10-20 and C10-20-unsatd. amido)ethyl]-4,5-dihydro-1-Me, Me sulfates
- CAS number:
- 92201-88-2
- CAS number:
- 92201-88-2
Synonyms
- Names:
- Identifier:
- INCI name
- Quaternium 72
- Identifier:
- INCI name
- Quaternium 87
- Identifier:
- other: Carbon chain descriptor based name:
- Fatty acids, C16 and C18-unsatd. (even numbered), reaction products with diethylenetriamine, di-Me sulfate-quaternized
Molecular and structural information
- Molecular formula:
- Molecular formula of major constituents:
C38H77N3O5S1 (C16 carbon chain)
C42H81N3O5S1 (C18:1 carbon chain) - Molecular weight:
- ca. 256.43 - ca. 740.19
- SMILES notation:
- SMILES of major constituents:
COS([O-])(=O)=O.CCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCC (SMILES for C16 carbon chain)
COS([O-])(=O)=O.CCCCCCCCC=CCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCC=CCCCCCCCC (SMILES for C18:1 carbon chain) - InChl:
- InChI of major constituents:
InChI=1S/C37H73N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-38-32-34-40(36,3)35-33-39-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-35H2,1-3H3;1H3,(H,2,3,4) (InChI for C16 carbon chain)
InChI=1S/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)/b20-18+,21-19+ (InChI for C18:1 carbon chain) - Structural formula:
Related substances
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