NNK
Molecular Formula:
C
10
H
13
N
3
O
2
InChI:
InChI=1/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:
InChIKey=FLAQQSHRLBFIEZ-UHFFFAOYAR
SMILES:
CN(CCCC(=O)C1=CN=CC=C1)N=O
CAS number 64091-91-4
Names:
NNK
NNK (carcinogen)
N-methyl-N-(4-oxo-4-pyridin-3-yl-butyl)nitrous amide
4-(Methylnitrosamino)-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-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone
Registries:
PubChem CID 47289
Beilstein =3548355
CAS 64091-91-4 (from NIST)
ChEBI 32692
PubChem ID 10385958