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quaternium-15

Go to external page http://purl.obolibrary.org/obo/CHEBI_59607

A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent.

Term info

Label

quaternium-15

Synonyms
  • 1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride
database cross reference
Subsets

3_STAR

IUPAC NAME
1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride [ IUPAC ]

charge

0

formula

C9H16Cl2N4

has obo namespace

chebi_ontology

has related synonym

N-(3-Chloroallyl)hexaminium chloride, quaternium 15, 1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride, CTAC, 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride, Hexamethylenetetramine chloroallyl chloride, Methenamine 3-chloroallylochloride

id

CHEBI:59607

inchi

InChI=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

inchikey

UKHVLWKBNNSRRR-UHFFFAOYSA-M

mass

251.15600

monoisotopicmass

250.07520

smiles

[Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2