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

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ChEBI Name 2-methyl-1,4-phenylenediamine
ChEBI ID CHEBI:53619
Definition A diamine in which the two amino groups are substituted into toluene at the 2- and 5-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H10N2
Net Charge 0
Average Mass 122.16770
Monoisotopic Mass 122.08440
InChI InChI=1S/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3
InChIKey OBCSAIDCZQSFQH-UHFFFAOYSA-N
SMILES Cc1cc(N)ccc1N
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): 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.
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ChEBI Ontology
Outgoing 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 2,5-diaminotoluene sulfate (CHEBI:156544) has functional parent 2-methyl-1,4-phenylenediamine (CHEBI:53619)
IUPAC Name
2-methylbenzene-1,4-diamine
Synonyms Sources
1-methyl-2,5-diaminobenzene ChEBI
2,5-diamino-1-methylbenzene ChEBI
2,5-Diaminotoluene ChemIDplus
2,5-Toluenediamine ChemIDplus
2-Methyl-1,4-benzenediamine ChemIDplus
2-Methyl-1,4-benzenediamine KEGG COMPOUND
4-Amino-2-methylaniline ChemIDplus
p-Toluenediamine ChemIDplus
toluene-2,5-diamine ChEBI
Manual Xref Database
C19386 KEGG COMPOUND
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Registry Numbers Types Sources
774521 Beilstein Registry Number Beilstein
774521 Reaxys Registry Number Reaxys
95-70-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
18844695 PubMed citation Europe PMC
Last Modified
25 September 2020