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4-amino-2,6-dinitrotoluene

Properties

Image

Occurences in reactions

MNX_ID

MNXM3497

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

formula

C₇H₇N₃O₄

charge

mass

197.1483

reference

InChIKey

KQRJATLINVYHEZ-UHFFFAOYSA-N

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77424 chebi:77424	4-amino-2,6-dinitrotoluene 2,6-Dinitro-4-aminotoluene 3,5-Dinitro-4-methylaniline 3,5-Dinitro-p-toluidine 4-ADNT 4-Amino-1-methyl-2,6-dinitrobenzene 4-Methyl-3,5-dinitrobenzenamine 4-Methyl-3,5-dinitrophenylamine 4-methyl-3,5-dinitroaniline NSC 25010
envipath:...78fdfbacc794 envipathM:...78fdfbacc794 kegg.compound:C16394 keggC:C16394	4-Amino-2,6-dinitrotoluene
seed.compound:cpd15100 seedM:cpd15100	4-Amino-2,6-dinitrotoluene 4-amino-2,6-dinitrotoluene
metacyc.compound:CPD-10455 metacycM:CPD-10455	4-amino-2,6-dinitrotoluene
chebi:20306 keggC:M_C16394 seedM:M_cpd15100	secondary/obsolete/fantasy identifier