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CHEBI:20408 - 4-hydroxylamino-2,6-dinitrotoluene
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ChEBI Ontology
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ChEBI Name
4-hydroxylamino-2,6-dinitrotoluene
ChEBI ID
CHEBI:20408
Definition
A member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H7N3O5
Net Charge
0
Average Mass
213.14760
Monoisotopic Mass
213.03857
InChI
InChI=1S/C7H7N3O5/c1-4-6(9(12)13)2-5(8-11)3-7(4)10(14)15/h2-3,8,11H,1H3
InChIKey
HTTDEAQRSCMCQS-UHFFFAOYSA-N
SMILES
Cc1c(cc(NO)cc1[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Biological Role
(s):
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-hydroxylamino-2,6-dinitrotoluene (
CHEBI:20408
)
has role
xenobiotic metabolite (
CHEBI:76206
)
4-hydroxylamino-2,6-dinitrotoluene (
CHEBI:20408
)
is a
hydroxylamines (
CHEBI:24709
)
4-hydroxylamino-2,6-dinitrotoluene (
CHEBI:20408
)
is a
nitrotoluene (
CHEBI:25566
)
Synonym
Source
4-hydroxylamino-2,6-dinitrotoluene
UniProt
Manual Xrefs
Databases
C16392
KEGG COMPOUND
CPD-10457
MetaCyc
View more database links
Registry Numbers
Types
Sources
3084873
Reaxys Registry Number
Reaxys
59283-75-9
CAS Registry Number
ChemIDplus
Last Modified
17 May 2024