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4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM5537

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	6

formula

C₁₀H₁₃N₃O₂

charge

mass

207.10078

reference

chebi:32692

InChIKey

FLAQQSHRLBFIEZ-UHFFFAOYSA-N

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

SMILES

CN(CCCC(=O)c1cccnc1)N=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32692 chebi:32692	4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one NNK NNK (carcinogen)
hmdb:HMDB0011603	4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone 4'-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone 4-(Methylintrosamino)-1-(3-pyridyl)-1-butanone 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone 4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanone 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one NNK NNK (Carcinogen) NNK CPD nnk (carcinogen)
kegg.compound:C16453 keggC:C16453	4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone NNK
metacyc.compound:CPD-21234 metacycM:CPD-21234	4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one NNK
seed.compound:cpd15157 seedM:cpd15157	NNK (carcinogen) 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one NMK NNK
hmdb:HMDB11603 keggC:M_C16453 seedM:M_cpd15157	secondary/obsolete/fantasy identifier