CHEBI:51403 - 1,4-phenylenediamine - EMBL-EBI

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CHEBI:51403 - 1,4-phenylenediamine

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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
Supplier Information
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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
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.
View more via ChEBI Ontology
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
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
PPD ChEBI
PPDA ChEBI
pPDA ChEBI
Manual Xrefs Databases
13835179 ChemSpider
C19499 KEGG COMPOUND
DB14141 DrugBank
HMDB0256055 HMDB
P-Phenylenediamine Wikipedia
View more database links
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 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10694312 PubMed citation Europe PMC
10771133 PubMed citation Europe PMC
11495521 PubMed citation Europe PMC
1395635 PubMed citation Europe PMC
15462465 PubMed citation Europe PMC
17256041 PubMed citation Europe PMC
17827020 PubMed citation ChEMBL
18837732 PubMed citation Europe PMC
18844695 PubMed citation Europe PMC
19099270 PubMed citation Europe PMC
19469519 PubMed citation Europe PMC
19958436 PubMed citation Europe PMC
20565505 PubMed citation Europe PMC
21616561 PubMed citation Europe PMC
23257336 PubMed citation Europe PMC
23510340 PubMed citation Europe PMC
24385090 PubMed citation Europe PMC
8254706 PubMed citation Europe PMC
8735869 PubMed citation Europe PMC
9540973 PubMed citation Europe PMC
Last Modified
05 March 2024

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