NNAL

cas: 76014-81-8 — see every product listed under this CAS number, including other names

NNAL (CAS 76014-81-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULN102001
cas76014-81-8
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Structural formula: {0} (CAS {1})

4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol is a member of the class of nitrosamines that is butan-1-ol substituted by a pyridin-3-yl group at position 1 and by a methyl(nitroso)amino group at position 4. It is a major metabolite of nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), which is a carcinogen found in tobacco and responsible for inducing lung cancer in smokers. It has a role as a carcinogenic agent, a biomarker and a human urinary metabolite. It is a member of pyridines, a secondary alcohol and a nitrosamine. It is functionally related to a 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one.

Source: ChEBI

Identity
Molecular formulaC10H15N3O2
Molecular weight209.24 g/mol
IUPAC nameN-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide
InChIKeyOGRXKBUCZFFSTL-UHFFFAOYSA-N
SMILESCN(CCCC(C1=CN=CC=C1)O)N=O

Computed by PubChem (NCBI)

Synonyms: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol, nnal, N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-methylnitrous amide, 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)butan-1-ol, 4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanol, alpha-(3-(Methylnitrosoamino)propyl)-3-pyridinemethanol, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol, 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-ol, 3-Pyridinemethanol, alpha-(3-(methylnitrosoamino)propyl)-, NNAL cpd
Related forms of this compound
N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide C10H15N3O2
N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]-N-methylnitrous amide C10H15N3O2
N-[(4R)-4-hydroxy-4-pyridin-3-ylbutyl]-N-methylnitrous amide C10H15N3O2
N-[4-hydroxy-4-(3-pyridinyl)(413C)butyl]-N-methylnitrous amide C10H15N3O2
N-(1,1-dideuterio-4-hydroxy-4-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide C10H15N3O2
Isomers (same molecular formula)
tert-butyl N-(4-amino-2-pyridinyl)carbamate C10H15N3O2
ethyl 8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate C10H15N3O2
N,N-diethyl-6-methyl-5-nitropyridin-2-amine C10H15N3O2
ethyl 2-amino-4-propylpyrimidine-5-carboxylate C10H15N3O2
tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate C10H15N3O2
6-(pyrimidin-2-ylamino)hexanoic acid C10H15N3O2
tert-butyl 6-hydrazinylpyridine-3-carboxylate C10H15N3O2

Also listed as

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol, >95% (HPLC) TRC CAS 76014-81-8
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol (1.0 mg/mL in Methanol) TRC CAS 76014-81-8
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol Biosynth CAS 76014-81-8
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BU Sigma-Aldrich CAS 76014-81-8
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol, 99.94% MedChemExpress CAS 76014-81-8