CHEBI:19389 - 2,6-diamino-4-nitrotoluene

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ChEBI Name 2,6-diamino-4-nitrotoluene
ChEBI ID CHEBI:19389
Definition A member of the class of amino-nitrotoluenes that is 2,6-diaminotoluene bearing a nitro substituent at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H9N3O2
Net Charge 0
Average Mass 167.16530
Monoisotopic Mass 167.06948
InChI InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3
InChIKey SPOWAUDUGZVURQ-UHFFFAOYSA-N
SMILES Cc1c(N)cc(cc1N)[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.
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ChEBI Ontology
Outgoing 2,6-diamino-4-nitrotoluene (CHEBI:19389) has role xenobiotic metabolite (CHEBI:76206)
2,6-diamino-4-nitrotoluene (CHEBI:19389) is a amino-nitrotoluene (CHEBI:22482)
Synonym Source
4-Nitro-2,6-toluenediamine ChemIDplus
Manual Xref Database
C16397 KEGG COMPOUND
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Registry Numbers Types Sources
2724113 Reaxys Registry Number Reaxys
59229-75-3 CAS Registry Number ChemIDplus
Last Modified
12 June 2015