EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
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 |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | 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. |
| Applications: | reagent A substance used in a chemical reaction to detect, measure, examine, or produce other substances. |
| ChEBI Ontology |
|---|
| 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 |
|---|