CHEBI:82189 - Isopropalin

ChEBI IDCHEBI:82189
ChEBI NameIsopropalin
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DownloadsMolfile
FormulaC15H23N3O4
Net Charge0
Average Mass309.366
Monoisotopic Mass309.16886
SMILESCCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3
InChIKeyNEKOXWSIMFDGMA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isopropalin (CHEBI:82189) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
C19063KEGG COMPOUND
407PPDB
Registry NumbersSources
CAS:33820-53-0KEGG COMPOUND