quaternium-15 (CHEBI:59607)

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ChEBI Name	quaternium-15

ChEBI ID	CHEBI:59607

Definition	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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C9H16Cl2N4

Net Charge

Average Mass

251.15600

Monoisotopic Mass

250.07520

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

SMILES

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

Roles Classification
Biological Role(s):	disinfectant An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

ChEBI Ontology
Outgoing	quaternium-15 (CHEBI:59607) has functional parent hexamethylenetetramine (CHEBI:6824) quaternium-15 (CHEBI:59607) has role allergen (CHEBI:50904) quaternium-15 (CHEBI:59607) has role antibacterial agent (CHEBI:33282) quaternium-15 (CHEBI:59607) has role disinfectant (CHEBI:48219) quaternium-15 (CHEBI:59607) has role hapten (CHEBI:59174) quaternium-15 (CHEBI:59607) is a organochlorine compound (CHEBI:36683) quaternium-15 (CHEBI:59607) is a quaternary ammonium salt (CHEBI:35273)

IUPAC Name

1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1³,⁷]decanium chloride

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

Last Modified

17 March 2017