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

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ChEBI Name 4-amino-2-hydroxylamino-6-nitrotoluene
ChEBI ID CHEBI:20307
Definition A member of the class of amino-nitrotoluenes that is 4-amino-6-nitrotoluene bearing an additional hydroxylamino group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H9N3O3
Net Charge 0
Average Mass 183.16470
Monoisotopic Mass 183.06439
InChI InChI=1S/C7H9N3O3/c1-4-6(9-11)2-5(8)3-7(4)10(12)13/h2-3,9,11H,8H2,1H3
InChIKey VQMWRUKXHJGSIE-UHFFFAOYSA-N
SMILES Cc1c(NO)cc(N)cc1[N+]([O-])=O
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): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonym Source
4-amino-2-hydroxylamino-6-nitrotoluene UniProt
Registry Number Type Source
8315305 Reaxys Registry Number Reaxys
Last Modified
23 May 2024