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CHEBI:32692 - 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one

ChEBI IDCHEBI:32692
ChEBI Name4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one
Stars
ASCII Name4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one
Last Modified5 January 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H13N3O2
Net Charge0
Average Mass207.233
Monoisotopic Mass207.10078
SMILESCN(CCCC(=O)c1cccnc1)N=O
InChIInChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
InChIKeyFLAQQSHRLBFIEZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one (CHEBI:32692) is a nitrosamine (CHEBI:35803)
4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one (CHEBI:32692) is a pyridines (CHEBI:26421)
Incoming Relation(s)
4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (CHEBI:82569) has functional parent 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one (CHEBI:32692)
IUPAC Name 
4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
Synonyms  Source
4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanoneChemIDplus
NNK (carcinogen)ChemIDplus
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanoneChemIDplus
NNKKEGG COMPOUND
Manual XrefsDatabases
C16453KEGG COMPOUND
Registry NumbersSources
Beilstein:3548355Beilstein
CAS:64091-91-4ChemIDplus
CAS:64091-91-4KEGG COMPOUND