CHEBI:51403 - 1,4-phenylenediamine

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ChEBI Name 1,4-phenylenediamine
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 0
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
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.
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

A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
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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)
Bandrowski's base (CHEBI:53109) has functional parent 1,4-phenylenediamine (CHEBI:51403)
Synonyms Sources
1,4-Benzenediamine ChemIDplus
1,4-Benzenediamine KEGG COMPOUND
1,4-diaminobenzene ChEBI
4-Aminoaniline ChemIDplus
4-phenylenediamine ChEMBL
p-Diaminobenzene ChemIDplus
p-Phenylenediamine ChemIDplus
p-phenylenediamine base ChEBI
para-phenylenediamine ChEBI
paraphenylene-diamine ChEBI
paraphenylenediamine ChEBI
Manual Xrefs Databases
13835179 ChemSpider
DB14141 DrugBank
HMDB0256055 HMDB
P-Phenylenediamine Wikipedia
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Registry Numbers Types Sources
106-50-3 CAS Registry Number KEGG COMPOUND
106-50-3 CAS Registry Number NIST Chemistry WebBook
106-50-3 CAS Registry Number ChemIDplus
749029 Beilstein Registry Number Beilstein
749029 Reaxys Registry Number Reaxys
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Last Modified
01 February 2022