CHEBI:77424 - 4-amino-2,6-dinitrotoluene

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ChEBI Name 4-amino-2,6-dinitrotoluene
Definition An amino-nitrotoluene that is 2,6-dinitrotoluene substituted at position 4 by an amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20306
Supplier Information
Download Molfile XML SDF
Formula C7H7N3O4
Net Charge 0
Average Mass 197.14820
Monoisotopic Mass 197.04366
InChI InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3
SMILES Cc1c(cc(N)cc1[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Chemical Role(s): explosive
A substance capable of undergoing rapid and highly exothermic decomposition.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
fungal xenobiotic metabolite
Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-amino-2,6-dinitrotoluene (CHEBI:77424) has role explosive (CHEBI:63490)
4-amino-2,6-dinitrotoluene (CHEBI:77424) has role fungal xenobiotic metabolite (CHEBI:76968)
4-amino-2,6-dinitrotoluene (CHEBI:77424) has role marine metabolite (CHEBI:76507)
4-amino-2,6-dinitrotoluene (CHEBI:77424) is a amino-nitrotoluene (CHEBI:22482)
Synonyms Sources
2,6-Dinitro-4-aminotoluene NIST Chemistry WebBook
3,5-Dinitro-4-methylaniline ChemIDplus
3,5-Dinitro-p-toluidine ChemIDplus
4-ADNT NIST Chemistry WebBook
4-Amino-1-methyl-2,6-dinitrobenzene UM-BBD
4-Methyl-3,5-dinitrobenzenamine ChemIDplus
4-Methyl-3,5-dinitrophenylamine NIST Chemistry WebBook
NSC 25010 NIST Chemistry WebBook
Manual Xrefs Databases
c0455 UM-BBD
CPD-10455 MetaCyc
View more database links
Registry Numbers Types Sources
19406-51-0 CAS Registry Number NIST Chemistry WebBook
19406-51-0 CAS Registry Number ChemIDplus
2462150 Beilstein Registry Number ChemIDplus
2462150 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11467731 PubMed citation Europe PMC
15081777 PubMed citation Europe PMC
15820102 PubMed citation Europe PMC
20390867 PubMed citation Europe PMC
23983501 PubMed citation Europe PMC
24234379 PubMed citation Europe PMC
3378017 PubMed citation Europe PMC
9198535 PubMed citation Europe PMC
Last Modified
28 July 2014