4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone 64091-91-4

Name: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
Brand: Vaqora Chemicals
SKU: VQ-032312

About 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (CAS 64091-91-4) is a nitrosamine impurity of Nicotine offered by Vaqora Chemicals. Formula C10H13N3O2, molecular weight 207.23 g/mol. Systematically, it is named N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide. Common synonyms include Nicotine-derived nitrosamine ketone and 4-n-nitrosomethylamino-1-3-pyridyl-1-butanone.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. The GHS classification uses the signal word “Danger”, so appropriate gloves, eye protection and ventilation are recommended.

Laboratories use this nitrosamine standard to develop and validate highly sensitive LC-MS/MS methods, to confirm limits of detection and to document nitrosamine risk assessments in regulatory submissions. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Nitrosamine risk assessment
Trace LC-MS/MS quantitation
Method validation (AMV)
Regulatory submissions

Industries

Related to Nicotine

View every impurity, metabolite and intermediate we list for Nicotine.

Nicotine impurities

Specifications & identifiers

Chemical identifiers
Product name	4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
Catalogue No.	VQ-032312
CAS Number	64091-91-4
IUPAC name	N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
Molecular formula	C₁₀H₁₃N₃O₂
Molecular weight	207.23 g/mol
Exact mass	207.1008
Grade	Reference Standard
HSN code	38229090
InChIKey	FLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILES	CN(CCCC(=O)C1=CN=CC=C1)N=O
PubChem CID	47289

Physical properties
Physical form	Solid
LogP (XLogP3)	0.8
H-bond donors / acceptors	0 / 5
TPSA	62.6 Å²
Synonyms	4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone, 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one, 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one, 4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone, Nicotine-derived nitrosamine ketone, 4-n-nitrosomethylamino-1-3-pyridyl-1-butanone, NNK cpd, 4-(methyl(nitroso)amino)-1-(pyridin-3-yl)butan-1-one, 4'-(nitrosomethylamino)-1-(3-pyridyl)-1-butanone, NNK (carcinogen)

Safety & hazard information (GHS)

Toxic

Harmful / irritant

Health hazard

Signal word: Danger

Hazard statements

H301Toxic if swallowed
H317May cause an allergic skin reaction
H351Suspected of causing cancer

Precautionary statements: P203, P261, P264, P270, P272, P280, P301 + P316, P302 + P352, P318, P321, P330, P333 + P317, P362 + P364, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone?

The CAS Registry Number of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone is 64091-91-4. It is also known as 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone, 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one.

What is the molecular formula and molecular weight of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone?

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide.

What is 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone used for?

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone is supplied as a characterised reference material related to Nicotine. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone can I order?

We supply 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone?

Yes. Every lot of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone be shipped internationally?

Yes. 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.