1,4-phenylenediamine (CHEBI:51403)

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ChEBI Name	1,4-phenylenediamine

ChEBI ID	CHEBI:51403

Definition	A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus.

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

Secondary ChEBI IDs	CHEBI:521550

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Formula

C6H8N2

Net Charge

Average Mass

108.14120

Monoisotopic Mass

108.06875

InChI

InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2

InChIKey

CBCKQZAAMUWICA-UHFFFAOYSA-N

SMILES

Nc1ccc(N)cc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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.

Application(s):	dye reagent A substance used in a chemical reaction to detect, measure, examine, or produce other substances.

ChEBI Ontology
Outgoing	1,4-phenylenediamine (CHEBI:51403) has role allergen (CHEBI:50904) 1,4-phenylenediamine (CHEBI:51403) has role dye (CHEBI:37958) 1,4-phenylenediamine (CHEBI:51403) has role hapten (CHEBI:59174) 1,4-phenylenediamine (CHEBI:51403) has role reagent (CHEBI:33893) 1,4-phenylenediamine (CHEBI:51403) is a phenylenediamine (CHEBI:51402)

Incoming	2-chloro-1,4-phenylenediamine (CHEBI:76598) has functional parent 1,4-phenylenediamine (CHEBI:51403) 2-nitro-p-phenylenediamine (CHEBI:76394) has functional parent 1,4-phenylenediamine (CHEBI:51403) 4'-aminoacetanilide (CHEBI:229632) has functional parent 1,4-phenylenediamine (CHEBI:51403) Bandrowski's base (CHEBI:53109) has functional parent 1,4-phenylenediamine (CHEBI:51403)

IUPAC Name

benzene-1,4-diamine

Last Modified

05 March 2024