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CHEBI:28950 - N-methyl-N-picrylnitramine

Default Structure
ChEBI IDCHEBI:28950
ChEBI NameN-methyl-N-picrylnitramine
Stars
ASCII NameN-methyl-N-picrylnitramine
DefinitionA nitramine that is methylamine in which one of the hydrogens attached to the nitrogen is substituted by a nitro group while the other is substituted by a 2,4,6-trinitrophenyl group. A yellow crystalline powder, it is a high explosive, capable of being detonated by friction, shock, or a spark.
Secondary ChEBI IDCHEBI:25542
Last Modified5 January 2012
DownloadsMolfile
FormulaC7H5N5O8
Net Charge0
Average Mass287.144
Monoisotopic Mass287.01381
SMILESCN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3
InChIKeyAGUIVNYEYSCPNI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
explosive  A substance capable of undergoing rapid and highly exothermic decomposition.
ChEBI Ontology
Outgoing Relation(s)
N-methyl-N-picrylnitramine (CHEBI:28950) has role explosive (CHEBI:63490)
N-methyl-N-picrylnitramine (CHEBI:28950) is a nitramine (CHEBI:25543)
IUPAC Name 
N-methyl-N,2,4,6-tetranitroaniline
Synonyms  Source
2,4,6-tetrylChemIDplus
2,4,6-trinitrophenyl-N-methylnitramineChemIDplus
2,4,6-trinitrophenylmethylnitramineChemIDplus
2,4,6-(trinitrophenyl)methylnitroamineChemIDplus
N-methyl-N,2,4,6-tetranitroanilineChemIDplus
N-methyl-N,2,4,6-tetranitrobenzenamineChemIDplus
Manual XrefsDatabases
TetrylWikipedia
Registry NumbersSources
Reaxys:964788Reaxys
CAS:479-45-8NIST Chemistry WebBook
CAS:479-45-8ChemIDplus