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CHEBI:51403 - 1,4-phenylenediamine
| Formula | C6H8N2 |
| Net Charge | 0 |
| Average Mass | 108.144 |
| Monoisotopic Mass | 108.06875 |
| SMILES | Nc1ccc(N)cc1 |
| InChI | InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2 |
| InChIKey | CBCKQZAAMUWICA-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | 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. 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. |
| Applications: | reagent A substance used in a chemical reaction to detect, measure, examine, or produce other substances. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 1,4-Benzenediamine | KEGG COMPOUND |
| 1,4-Benzenediamine | ChemIDplus |
| 1,4-diaminobenzene | ChEBI |
| 4-Aminoaniline | ChemIDplus |
| 4-phenylenediamine | ChEMBL |
| para-phenylenediamine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 13835179 | ChemSpider |
| C19499 | KEGG COMPOUND |
| DB14141 | DrugBank |
| HMDB0256055 | HMDB |
| P-Phenylenediamine | Wikipedia |
| Citations |
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