CHEBI:75286 - methyltrioctylammonium chloride

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ChEBI Name methyltrioctylammonium chloride
ChEBI ID CHEBI:75286
Definition An organic chloride salt having methyltrioctylammonium as the cation.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H54ClN
Net Charge 0
Average Mass 404.15600
Monoisotopic Mass 403.39448
InChI InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1
InChIKey XKBGEWXEAPTVCK-UHFFFAOYSA-M
SMILES [Cl-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC
Roles Classification
Chemical Role(s): phase-transfer catalyst
A catalyst that facilitates the migration of a reactant from one phase into another phase where reaction occurs.
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ChEBI Ontology
Outgoing methyltrioctylammonium chloride (CHEBI:75286) has part methyltrioctylammonium (CHEBI:75293)
methyltrioctylammonium chloride (CHEBI:75286) has role phase-transfer catalyst (CHEBI:63060)
methyltrioctylammonium chloride (CHEBI:75286) is a organic chloride salt (CHEBI:36094)
methyltrioctylammonium chloride (CHEBI:75286) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name
N-methyl-N,N-dioctyl-1-octanaminium chloride
Synonyms Sources
Aliquat 336 ChEBI
Methyltricaprylylammonium chloride ChemIDplus
Tricaprylmethylammonium chloride ChemIDplus
Tricaprylyl methyl ammonium chloride ChemIDplus
Trioctylmethylammonium chloride ChemIDplus
Trioctylmonomethylammonium chloride ChemIDplus
Manual Xref Database
Aliquat_336 Wikipedia
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Registry Numbers Types Sources
4039255 Reaxys Registry Number Reaxys
5137-55-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18583038 PubMed citation Europe PMC
18960803 PubMed citation Europe PMC
18961585 PubMed citation Europe PMC
Last Modified
08 September 2013