Registration Dossier
Registration Dossier
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EC number: 939-290-7 | CAS number: 68607-20-5
Reference substances
- IUPAC name:
- Quaternary ammonium compounds, benzyl-C16-C18 (even numbered)-alkyldimethyl, chlorides
Inventory
Synonyms
- Names:
- C16-C18 Alkylbenzyldimethylammonium chloride
- Hydrogenated tallowalkylbenzyldimethyl ammonium chloride
- Quaternary ammonium compounds, benzyl-C16-18-alkyldimethyl, chlorides
- Quaternary ammonium compounds, benzyl-C16-18-alkyldimethyl, chlorides
- Identifier:
- IUPAC name
- Quaternary ammonium compounds, benzyl(hydrogenated tallow alkyl)dimethyl, chlorides
- Identifier:
- other: Molecular formula
- C27 H50 CL1 N1
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCCCN(CL)(Cc1ccccc1)(C)C
- Identifier:
- other: InChl
- Representative InChI of the major constituents, as the substance is an UVCB: C16 ADBAC: InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1 C18 ADBAC: InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
- Identifier:
- other: SMILES notation
- Representative SMILES of the major constituents, as the substance is an UVCB: C16 ADBAC: [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 C18 ADBAC: [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
- Identifier:
- other: Molecular formula
- n/a, UVCB
Molecular and structural information
- Molecular formula:
- Representative molecular formula of the major constituents, as the substance is an UVCB:
C16 ADBAC: C27 H50 CL1 N1
C18 ADBAC: C29H54CL1N1 - Molecular weight:
- ca. 283.89 - ca. 424.16
- SMILES notation:
- Representative SMILES of the major constituents, as the substance is an UVCB:
C16 ADBAC: [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
C18 ADBAC: [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1 - InChl:
- Representative InChI of the major constituents, as the substance is an UVCB:
C16 ADBAC: InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1
C18 ADBAC: InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1 - Structural formula:
Related substances
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