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CHEBI:53619 - 2-methyl-1,4-phenylenediamine

ChEBI IDCHEBI:53619
ChEBI Name2-methyl-1,4-phenylenediamine
Stars
DefinitionA diamine in which the two amino groups are substituted into toluene at the 2- and 5-positions.
Last Modified25 September 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H10N2
Net Charge0
Average Mass122.171
Monoisotopic Mass122.08440
SMILESCc1cc(N)ccc1N
InChIInChI=1S/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3
InChIKeyOBCSAIDCZQSFQH-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-methyl-1,4-phenylenediamine (CHEBI:53619) has parent hydride toluene (CHEBI:17578)
2-methyl-1,4-phenylenediamine (CHEBI:53619) has role allergen (CHEBI:50904)
2-methyl-1,4-phenylenediamine (CHEBI:53619) is a diamine (CHEBI:23666)
Incoming Relation(s)
2,5-diaminotoluene sulfate (CHEBI:156544) has functional parent 2-methyl-1,4-phenylenediamine (CHEBI:53619)
IUPAC Name 
2-methylbenzene-1,4-diamine
Synonyms  Source
2-Methyl-1,4-benzenediamineChemIDplus
2,5-DiaminotolueneChemIDplus
2,5-ToluenediamineChemIDplus
p-ToluenediamineChemIDplus
4-Amino-2-methylanilineChemIDplus
toluene-2,5-diamineChEBI
Manual XrefsDatabases
C19386KEGG COMPOUND
Registry NumbersSources
Reaxys:774521Reaxys
CAS:95-70-5ChemIDplus
CAS:95-70-5KEGG COMPOUND
Citations