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CHEBI:53613 - 2,5-dimethyl-p-phenylenediamine

ChEBI IDCHEBI:53613
ChEBI Name2,5-dimethyl-p-phenylenediamine
Stars
ASCII Name2,5-dimethyl-p-phenylenediamine
DefinitionA primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H12N2
Net Charge0
Average Mass136.198
Monoisotopic Mass136.10005
SMILESCc1cc(N)c(C)cc1N
InChIInChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3
InChIKeyBWAPJIHJXDYDPW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
2,5-dimethyl-p-phenylenediamine (CHEBI:53613) has parent hydride p-xylene (CHEBI:27417)
2,5-dimethyl-p-phenylenediamine (CHEBI:53613) has role allergen (CHEBI:50904)
2,5-dimethyl-p-phenylenediamine (CHEBI:53613) is a primary arylamine (CHEBI:50471)
IUPAC Name 
2,5-dimethylbenzene-1,4-diamine
Synonyms  Source
4-Amino-2,5-dimethylanilineChemIDplus
1,4-dimethylphenylene-2,5-diamineChEBI
2,5-dimethylphenylene-1,4-diamineChEBI
2,5-dimethyl-1,4-benzoquinonediamineChEBI
2,5-dimethyl-para-phenylenediamineChEBI
Registry NumbersSources
Reaxys:2802422Reaxys
CAS:6393-01-7ChemIDplus
Citations