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N-076

Supelco

4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone

1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

Synonyme(s) :

4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone, NNK

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About This Item

Formule empirique (notation de Hill):
C10H13N3O2
Numéro CAS:
64091-91-4
Poids moléculaire :
207.23
Numéro MDL:
MFCD00274580
Code UNSPSC :
41116107
ID de substance PubChem :
329818458
Nomenclature NACRES :
NA.24

Qualité

certified reference material

Niveau de qualité

300

Forme

liquid

Caractéristiques

Snap-N-Spike®/Snap-N-Shoot®

Conditionnement

ampule of 1 mL

Fabricant/nom de marque

Cerilliant®

Concentration

1.0 mg/mL in methanol

Technique(s)

gas chromatography (GC): suitable
liquid chromatography (LC): suitable

Application(s)

forensics and toxicology

Format

single component solution

Température de stockage

−20°C

Chaîne SMILES 

CN(CCCC(=O)c1cccnc1)N=O

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

Clé InChI

FLAQQSHRLBFIEZ-UHFFFAOYSA-N

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Catégories apparentées

Description générale

Certified Spiking Solutions® are suitable for use in nicotine testing, environmental monitoring, or clinical and diagnostic testing of nicotine biomarkers by LC-MS/MS or GC/MS. Also known as nicotine-derived nitrosamine ketone, NNK is a potent carcinogen and biomarker of exposure to cigarette smoke. NNK, produced upon the curing of tobacco, is found in a variety of tobacco products including chewing tobacco, snuff, cigarettes, and cigars.

Informations légales

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany
CERTIFIED SPIKING SOLUTIONS is a registered trademark of Merck KGaA, Darmstadt, Germany
Snap-N-Shoot is a registered trademark of Cerilliant Corporation
Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

Produit(s) apparenté(s)

Réf. du produit
Description
Tarif

A-097

(+)-Anabasine hydrochloride solution, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material, Cerilliant®

A-100

Anabasine-d4 hydrochloride solution, 100 μg/mL in methanol (as free base), ampule of 1 mL, certified reference material, Cerilliant®

C-016

(−)-Cotinine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

C-017

(±)-Cotinine-d3 solution, 100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

C-035

(±)-Cotinine-d3 solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

N-008

S(−)-Nicotine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

N-048

(±)-Nicotine-d4 solution, 100 μg/mL in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant®

N-071

(±)-Nornicotine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

N-072

(±)-Nornicotine-d4, 100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

N-075

(±)-N′-Nitrosonornicotine (NNN) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

N-077

(S)-N-Nitrosoanabasine (NAB) solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

Pictogrammes

FlameSkull and crossbonesHealth hazard
GHS02,GHS06,GHS08

Mention d'avertissement

Danger

Classification des risques

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Organes cibles

Eyes

Code de la classe de stockage

3 - Flammable liquids

Classe de danger pour l'eau (WGK)

WGK 1

Point d'éclair (°F)

49.5 °F - closed cup

Point d'éclair (°C)

9.7 °C - closed cup

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Certificats d'analyse (COA)

Lot/Batch Number

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Consulter la Bibliothèque de documents

Chia-Chang Wu et al.
The Journal of urology, 188(5), 1701-1705 (2012-09-25)
Cigarette smoking interacts with the urinary arsenic profile to modify the risk of urothelial carcinoma. NNK (4-[methylnitrosamino]-1-[3-pyridyl]-1-butanone) and its metabolite NNAL (4-[methylnitrosamino]-1-[3-pyridyl]-1-butanol) are biomarkers for cigarette smoking exposure. We explored the joint effects of urinary NNK metabolites and arsenic species
Hailei Lang et al.
Analytical and bioanalytical chemistry, 405(6), 2083-2089 (2013-01-12)
A hydrophilic interaction liquid chromatographic-tandem mass spectrometric (HILIC-MS-MS) method for investigation of the in vivo metabolism of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), a potent carcinogen, in rabbit blood has been developed and validated. This method achieved excellent repeatability and accuracy. Recovery ranged from
Carolina Croccia et al.
International journal of medicinal mushrooms, 15(4), 345-355 (2013-06-26)
Agaricus brasiliensis currently is one of the most studied fungi because of its nutritional and therapeutic properties as an anti-inflammatory agent and an adjuvant in cancer chemotherapy. The effects of orally administered aqueous A. brasiliensis extract (14.3- and 42.9-mg doses)
Mark Steven Miller et al.
Carcinogenesis, 34(2), 319-324 (2012-10-30)
Data from the National Lung Screening Trial suggested that annual computed tomography (CT) screening of at-risk patients decreases lung cancer mortality by 20%. We assessed the effects of low-dose CT radiation in mice exposed to 4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone (NNK) to mimic the
Jing Wang et al.
Asian Pacific journal of cancer prevention : APJCP, 13(5), 2207-2212 (2012-08-21)
Overexpression of DNA methyltransferase 1 (DNMT1) has been detected in many cancers. Tobacco exposure is known to induce genetic and epigenetic changes in the pathogenesis of malignancy. 4-(Methylnitrosamino)- 1-(3-pyridyl)-1-butanone (NNK) is an important carcinogen present in tobacco smoke; however the
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