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CHEBI:19644 - 2-hydroxylamino-4,6-dinitrotoluene

ChEBI IDCHEBI:19644
ChEBI Name2-hydroxylamino-4,6-dinitrotoluene
Stars
DefinitionA member of the class of nitrotoluenes that is 4,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 2.
Last Modified17 May 2024
DownloadsMolfile
FormulaC7H7N3O5
Net Charge0
Average Mass213.149
Monoisotopic Mass213.03857
SMILESCc1c(NO)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O5/c1-4-6(8-11)2-5(9(12)13)3-7(4)10(14)15/h2-3,8,11H,1H3
InChIKeyKONVLHWTMAMGAA-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxylamino-4,6-dinitrotoluene (CHEBI:19644) has role xenobiotic metabolite (CHEBI:76206)
2-hydroxylamino-4,6-dinitrotoluene (CHEBI:19644) is a hydroxylamines (CHEBI:24709)
2-hydroxylamino-4,6-dinitrotoluene (CHEBI:19644) is a nitrotoluene (CHEBI:25566)
IUPAC Name 
N-hydroxy-2-methyl-3,5-dinitroaniline
Synonym  Source
4,6-dinitro-2-hydroxylaminotolueneChEBI
UniProt Name  Source
2-hydroxylamino-4,6-dinitrotolueneUniProt
Manual XrefsDatabases
C16393KEGG COMPOUND
CPD-10447MetaCyc
Registry NumbersSources
Reaxys:3060112Reaxys
CAS:59283-76-0KEGG COMPOUND
CAS:59283-76-0ChemIDplus