CHEBI:19342 - 2,4-diamino-6-nitrotoluene

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ChEBI Name 2,4-diamino-6-nitrotoluene ChEBI ID CHEBI:19342 Definition A member of the class of amino-nitrotoluenes that is 2,4-diaminotoluene bearing a nitro substituent at position 6. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H9N3O2 Net Charge 0 Average Mass 167.16530 Monoisotopic Mass 167.06948 InChI InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3 InChIKey DFZSBQYOXAUYCB-UHFFFAOYSA-N SMILES Cc1c(N)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 2,4-diamino-6-nitrotoluene (CHEBI:19342) has role xenobiotic metabolite (CHEBI:76206) 2,4-diamino-6-nitrotoluene (CHEBI:19342) is a amino-nitrotoluene (CHEBI:22482) IUPAC Name 4-methyl-5-nitrobenzene-1,3-diamine Synonym Source 2-Nitro-4,6-diaminotoluene ChemIDplus Manual Xrefs Databases C16396 KEGG COMPOUND HMDB0060362 HMDB View more database links Registry Numbers Types Sources 3049869 Reaxys Registry Number Reaxys 6629-29-4 CAS Registry Number ChemIDplus Last Modified 12 June 2015