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CHEBI:20307 - 4-amino-2-hydroxylamino-6-nitrotoluene

ChEBI IDCHEBI:20307
ChEBI Name4-amino-2-hydroxylamino-6-nitrotoluene
Stars
DefinitionA member of the class of amino-nitrotoluenes that is 4-amino-6-nitrotoluene bearing an additional hydroxylamino group at position 2.
Last Modified23 May 2024
DownloadsMolfile
FormulaC7H9N3O3
Net Charge0
Average Mass183.167
Monoisotopic Mass183.06439
SMILESCc1c(NO)cc(N)cc1[N+](=O)[O-]
InChIInChI=1S/C7H9N3O3/c1-4-6(9-11)2-5(8)3-7(4)10(12)13/h2-3,9,11H,8H2,1H3
InChIKeyVQMWRUKXHJGSIE-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)
4-amino-2-hydroxylamino-6-nitrotoluene (CHEBI:20307) has role xenobiotic metabolite (CHEBI:76206)
4-amino-2-hydroxylamino-6-nitrotoluene (CHEBI:20307) is a amino-nitrotoluene (CHEBI:22482)
4-amino-2-hydroxylamino-6-nitrotoluene (CHEBI:20307) is a hydroxylamines (CHEBI:24709)
IUPAC Name 
N3-hydroxy-4-methyl-5-nitrobenzene-1,3-diamine
UniProt Name  Source
4-amino-2-hydroxylamino-6-nitrotolueneUniProt
Registry NumbersSources
Reaxys:8315305Reaxys