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Home › Product Catalog › 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone

4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone

CAS 64091-91-4C10H13N3O2MW 207.23

4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (CAS No. 64091-91-4) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.

Specifications

CAS Number64091-91-4
Molecular FormulaC10H13N3O2
Molecular Weight207.23
Melting Point151 to 153 °F (NTP, 1992)
LogP0.8
Purity按批次COA提供(不公开发布)
Packaging按订单/批次确认(不公开发布)
ApplicationsOrganic Chemicals
CategoryOrganic Chemicals

Where it is used

Organic Chemicals

Packaging & Supply

Packaging按订单/批次确认(不公开发布)
Purity按批次COA提供(不公开发布)
StorageSealed, cool and dry place
Lead TimeIn stock / per order

Documents & Support

COA provided with every batch; MSDS and technical documents available on request. Email us with product name and CAS number for a quote within one business day.

Frequently Asked Questions

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

The CAS number of 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone is 64091-91-4.

What purity and packaging are available?

Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.

What are the applications of 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone?

Main applications include Organic Chemicals.

How do I buy 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone or get a quote?

Email info@591daili.com or reach us on WhatsApp with the product name, CAS number and required quantity; quotes within one business day. Supplier: Jinan Shenghe Chemical Co., Ltd..

PubChem Public Data

Description

4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone · CAS 64091-91-4 · C10H13N3O2. UNII 7S395EDO61. Melting Point: 151 to 153 °F (NTP, 1992); Melting Point: 63 °C; Melting Point: 64 °C.

Identification

CAS Registry Number64091-91-4
PubChem CID47289
Molecular formulaC10H13N3O2
IUPAC nameN-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
UNII (FDA)7S395EDO61

Computed Descriptors

Molecular Weight207.23
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass207.100776666
Monoisotopic Mass207.100776666
Topological Polar Surface Area62.6
Heavy Atom Count15
Formal Charge0

Physical & Chemical Properties

Melting Point151 to 153 °F (NTP, 1992)
Melting Point63 °C
Melting Point64 °C
Solubility10 to 50 mg/mL at 65.3 °F (NTP, 1992)

Physical description & handling notes

  • 4-(n-nitroso-n-methylamino)-1-(3-pyridyl)-1-butanone (nnk) is a pale yellow crystalline solid. (NTP, 1992)
  • Pale yellow solid; [CAMEO] White solid; [MSDSonline]
  • Solid
  • Light-yellow crystalline soild
  • Soluble in water and organic solvents
  • less than 1 (NTP, 1992)

GHS Hazard Classification

Reported hazard statementsH301 (85.7%), H317 (91.8%), H351 (91.8%)

H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]

H317 (91.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Documented Uses

  • A constituent of tobacco smoke; [ChemIDplus]
  • NNK has no known use other than as a laboratory chemical.
  • ... By reaction of sodium hydroxide and sodium nitrite with 4-(N-methyl)-1-(3-pyridyl)-1-butanone dichloride
  • One of the products of the reaction of nicotine with nitrite
  • NNK is formed by oxidation and nitrosation of nicotine and is produced during the curing of tobacco and in smoking. ... Common cigarette filters considerably reduce the amount of NNK that reaches the smoker.
  • Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Synonyms

64091-91-4; 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE; 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; DTXSID3020881; N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide; 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one; CHEBI:32692; 7S395EDO61; 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one; 4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone; DTXCID70881; Nicotine-derived nitrosamine ketone; 4-Methylnitrosamino-1,3-pyridyl-1-butanone; 4-n-nitrosomethylamino-1-3-pyridyl-1-butanone; NNK cpd

Frequently Asked Questions

What are the CAS number and molecular formula of 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone?

CAS 64091-91-4; molecular formula C10H13N3O2; molecular weight — g/mol.

What other names is 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone known by?

64091-91-4, 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE, 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone, DTXSID3020881, N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide.

Is 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone classified as hazardous?

Hazard statements reported: H301, H317, H351.

What are the key physical properties of 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone?

Melting Point: 151 to 153 °F (NTP, 1992); Melting Point: 63 °C; Melting Point: 64 °C; Solubility: 10 to 50 mg/mL at 65.3 °F (NTP, 1992).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.

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