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N-076

Supelco

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

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

Synonyma:

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

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About This Item

Empirický vzorec (Hillův zápis):
C10H13N3O2
Číslo CAS:
64091-91-4
Molekulová hmotnost:
207.23
MDL number:
MFCD00274580
UNSPSC Code:
41116107
PubChem Substance ID:
329818458
NACRES:
NA.24

grade

certified reference material

form

liquid

feature

Snap-N-Spike®/Snap-N-Shoot®

packaging

ampule of 1 mL

manufacturer/tradename

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

storage temp.

−20°C

SMILES string

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

InChI key

FLAQQSHRLBFIEZ-UHFFFAOYSA-N

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Související kategorie

General description

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.

Legal Information

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

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(+)-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®

signalword

Danger

Hazard Classifications

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

target_organs

Eyes

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

49.5 °F - closed cup

flash_point_c

9.7 °C - closed cup

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EU REACH Annex XVII (Restriction List)

CAS No.

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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
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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
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
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Tobacco smoking is the most widely known cause of human cancer-related death worldwide. NNK is one of the proved human carcinogens contributing to the development of several types of cancer. The carcinogenic effect of NNK depends on the metabolic pathway.
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