NNK
NNK Structure
Systematic / IUPAC Name: 4-[Methyl(nitroso)amino]-1-(3-pyridinyl)-1-butanone
ID: Reference9918
Other Names:
NNK;
1-Butanone, 4-(methylnitrosamino)-1-(3-pyridyl)-;
1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-;
1-Butanone, 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl);
3-(N-Methyl-N-nitrosamino)propyl 3-pyridyl ketone
; more
Formula: C10H13N3O2
Class: Extractables/Leachables Excipients/Additives/Colorants Textile Chemicals/Auxiliary/Dyes
Spectral Data
NNK mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion; Orbitrap Fusion with FAIMS |
| No. of Spectral Trees | 2 |
| No. of Spectra | 968 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/9/2020 1:08:29 PM |
Identificators
| 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 |
| InChI Key | FLAQQSHRLBFIEZ-UHFFFAOYSA-N |
| Canonical SMILES | CN(CCCC(=O)C1=CN=CC=C1)N=O |
| CAS | |
| Splash | |
| Other Names |
NNK; 1-Butanone, 4-(methylnitrosamino)-1-(3-pyridyl)-; 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-; 1-Butanone, 4-(N-methyl-N-nitrosamino)-1-(3-pyridyl); 3-(N-Methyl-N-nitrosamino)propyl 3-pyridyl ketone; 4-(Methyl-nitrosamino)-1-(3-pyridyl)-1-butanone; 4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanone; 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; 4-(Nitrosoamino-N-methyl)-1-(3-pyridyl)-1-butanone; 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; 4-(N-Methyl-N-nitrosamino)-4-(3-pyridyl)-1-butanone; 4-(N-Methyl-N-nitrosoamino)-4-(3-pyridyl)-1-butanone; 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 4-(N-Nitrosomethylamino)-1-(3-pyridyl)butan-1-one; 4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone; 4-[Methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one; Ketone, 3-pyridyl 3-(N-methyl-N-nitrosamino)propyl; N-Methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide; N-Methyl-N-nitroso-4-oxo-4-(3-pyridyl)butyl amine; N-Nitrosonornicotine-ketone |
In Other Databases
| ChEBI | CHEBI:32692 |
| ChEMBL | CHEMBL2311069 |
| WebBook | 3837775794 |
| HMDb | HMDB0011603 |
| ChemSpider | 43038 |
| Wikipedia | NNK |
| PubChem | 47289 |
| ChemIDPlus | 064091505 |
| KEGG | C16453 |