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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one
ChEBI ID CHEBI:32692
ChEBI ASCII Name 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H13N3O2
Net Charge 0
Average Mass 207.22924
Monoisotopic Mass 207.10078
InChI InChI=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
InChIKey FLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILES CN(CCCC(=O)c1cccnc1)N=O
ChEBI Ontology
Outgoing 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 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 Sources
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone ChemIDplus
4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone ChemIDplus
NNK KEGG COMPOUND
NNK (carcinogen) ChemIDplus
Manual Xref Database
C16453 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3548355 Beilstein Registry Number ChemIDplus
64091-91-4 CAS Registry Number ChemIDplus
Last Modified
05 January 2021