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CHEBI:59607 - quaternium-15

ChEBI IDCHEBI:59607
ChEBI Namequaternium-15
Stars
DefinitionA quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent.
Last Modified17 March 2017
SubmitterSteve
DownloadsMolfile

FormulaC9H16ClN4.Cl
Net Charge0
Average Mass251.161
Monoisotopic Mass250.07520
SMILES[Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2
InChIInChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1
InChIKeyUKHVLWKBNNSRRR-UHFFFAOYSA-M

Roles Classification

ChEBI Ontology
IUPAC Name 
1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decanium chloride
Synonyms  Source
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chlorideChemIDplus
N-(3-Chloroallyl)hexaminium chlorideChemIDplus
1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chlorideChemIDplus
Hexamethylenetetramine chloroallyl chlorideChemIDplus
Methenamine 3-chloroallylochlorideChemIDplus
quaternium 15ChEBI
Registry NumbersSources
Beilstein:9300843Beilstein
CAS:4080-31-3ChemIDplus
Citations