Registration Dossier
Registration Dossier
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EC number: 268-074-9 | CAS number: 68002-61-9 This substance is identified by SDA Substance Name: C16-C18 and C18 unsaturated alkyl trimethyl ammonium chloride and SDA Reporting Number: 11-045-00.
Reference substances
- IUPAC name:
- Amines, C16-18 and C18-unsatd. alkyldimethyl, hydrochlorides
Inventory
Synonyms
Molecular and structural information
- Molecular formula:
- Representative molecular formula of the major constituents, as the substance is an UVCB:
C16 amine hydrochloride:
C18 amine hydrochloride: C18H39CL1N1 - Molecular weight:
- ca. 304.97
- SMILES notation:
- Representative SMILES of the major constituents, as the substance is an UVCB:
C16 amine hydrochloride: [Cl-].CCCCCCCCCCCCCCCC[NH+](C)C
C18 amine hydrochloride: [Cl-].CCCCCCCCCCCCCCCCCC[NH+](C)C
C18-unsatd. amine hydrochloride: [Cl-].CCCCCC\C=C\CCCCCCCC[NH+](C)C - InChl:
- Representative InChI of the major constituents, as the substance is an UVCB:
C16 amine hydrochloride: InChI=1S/C18H39N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h4-18H2,1-3H3;1H
C18 amine hydrochloride:InChI=1S/C20H43N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;/h4-20H2,1-3H3;1H
C18-unsatd. amine hydrochloride: InChI=1S/C18H37N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h9-10H,4-8,11-18H2,1-3H3;1H/b10-9+; - Structural formula:
Related substances
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