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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®

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C10H13N3O2
CAS Number:
64091-91-4
Molecular Weight:
207.23
MDL number:
MFCD00274580
UNSPSC Code:
41116107
PubChem Substance ID:
329818458
NACRES:
NA.24

grade

certified reference material

Quality Level

300

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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General description

A Certified Spiking Solution® 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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Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

49.5 °F - closed cup

Flash Point(C)

9.7 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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)
Shioko Kimura et al.
Molecular cancer, 11, 90-90 (2012-12-14)
The CCAAT/enhancer binding proteins (C/EBPs) play important roles in carcinogenesis of many tumors including the lung. Since multiple C/EBPs are expressed in lung, the combinatorial expression of these C/EBPs on lung carcinogenesis is not known. A transgenic mouse line expressing
Xuemin Qian et al.
Carcinogenesis, 34(4), 841-849 (2012-12-15)
The main reasons for the failure of most chemopreventive agents during clinical trials are poor in vivo bioavailability and dose-limiting side effects. One potential approach to surmount these problems in lung cancer chemoprevention trials could be direct delivery of agents
Kent-Man Chu et al.
Current pharmaceutical design, 19(1), 5-10 (2012-09-07)
Cigarette smoke has always been the single most preventive cause of death in the world. In 2011, over 460,000 died from cigarette smoke-related diseases in US. The detrimental effects of cigarette smoke on human beings are due to the presence
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