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CHEBI:19342 - 2,4-diamino-6-nitrotoluene

ChEBI IDCHEBI:19342
ChEBI Name2,4-diamino-6-nitrotoluene
Stars
DefinitionA member of the class of amino-nitrotoluenes that is 2,4-diaminotoluene bearing a nitro substituent at position 6.
Last Modified7 June 2024
DownloadsMolfile
FormulaC7H9N3O2
Net Charge0
Average Mass167.168
Monoisotopic Mass167.06948
SMILESCc1c(N)cc(N)cc1[N+](=O)[O-]
InChIInChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3
InChIKeyDFZSBQYOXAUYCB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
2,4-diamino-6-nitrotoluene (CHEBI:19342) has role xenobiotic metabolite (CHEBI:76206)
2,4-diamino-6-nitrotoluene (CHEBI:19342) is a amino-nitrotoluene (CHEBI:22482)
IUPAC Name 
4-methyl-5-nitrobenzene-1,3-diamine
Synonym  Source
2-Nitro-4,6-diaminotolueneChemIDplus
UniProt Name  Source
2,4-diamino-6-nitrotolueneUniProt
Manual XrefsDatabases
C16396KEGG COMPOUND
HMDB0060362HMDB
Registry NumbersSources
Reaxys:3049869Reaxys
CAS:6629-29-4KEGG COMPOUND
CAS:6629-29-4ChemIDplus