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Nitrosamine Impurities

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

Reference StandardAvailable on request

Order 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (CAS 64091-91-4) online at Zemixal. Request a quote with price, lead time and documents.

Pack sizes
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone chemical structure
CAS number64091-91-4
FormulaC10H13N3O2
Molar mass207.23 g/mol
Physical formSolid
HS code38229090
InChIKeyFLAQQSHRLBFIEZ-UHFFFAOYSA-N
IUPAC nameN-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide

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

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone is supplied by Zemixal as a characterised reference material for Nicotine analysis. Key data (Reference Standard): CAS 64091-91-4, formula C10H13N3O2 and molar mass 207.23 g/mol. It is handled as a solid.

Typical applications

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

Handling and storage

Classified under GHS with signal word Danger and hazard statements H301, H317 and H351. Read the SDS before first use.

Available as 10 mg, 25 mg, 50 mg and 100 mg. Larger or split packs can be arranged. You receive a certificate of analysis with characterisation data with each order. Request pricing online and we confirm availability, documentation and freight to your country.

Reference standards for Nicotine

See every impurity, metabolite and related compound we list for this API.

Nicotine standards

Typical uses

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

Applications

Specifications and identifiers

Specifications of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
Product name4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
Catalogue numberZX-030997
CAS number64091-91-4
IUPAC nameN-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
Molecular formulaC10H13N3O2
Molar mass207.23 g/mol
Exact mass207.1008
GradeReference Standard
Physical formSolid
XLogP30.8
H-bond donors / acceptors0 / 5
Topological polar surface area62.6 Ų
HS code38229090
InChIKeyFLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILESCN(CCCC(=O)C1=CN=CC=C1)N=O
PubChem CID47289
Synonyms4-(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)

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS06 Acute toxicity
Acute toxicity
GHS07 Irritant or harmful
Irritant or harmful
GHS08 Health hazard
Health hazard

Signal word Danger

  • 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 summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone

Which CAS number identifies 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone?
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone is registered under CAS 64091-91-4. You may also see it listed 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. Our catalogue number for this item is ZX-030997.
What are the formula and molar mass of 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone?
For 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone, its formula is C10H13N3O2 and its molar mass is 207.23 g/mol. The systematic (IUPAC) name is N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide. InChIKey FLAQQSHRLBFIEZ-UHFFFAOYSA-N lets you match it in any structure database.
How is 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone used in pharmaceutical QC?
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone is a characterised reference material linked to Nicotine. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone to my country?
Yes. Because 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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