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78013

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

analytical standard

Synonym(s):

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
NACRES:
NA.24
PubChem Substance ID:
329768118
UNSPSC Code:
41116107
MDL number:
MFCD00274580
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grade

analytical standard

Quality Level

100

assay

≥98.0% (GC)

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

HPLC: suitable, gas chromatography (GC): suitable, solid phase extraction (SPE): suitable

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

storage temp.

2-8°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

General description

Nitrosamines are chemical compounds that can form during drug manufacturing and may pose health risks, including carcinogenicity.
4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone is commonly employed as a reference compound in analytical chemistry. It is utilized in chromatographic and spectrometric techniques for the detection and quantification of nitrosamines in chemical, pharmaceutical, and environmental matrices.

Application

4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone may be used as an analytical reference standard for the quantification of tobacco-specific nitrosamines in tobacco using gas chromatography.

Analysis Note

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Carc. 2 - Skin Sens. 1

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN1530
BCCL2650
BCCH8268
BCCH6680
BCCJ7667

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Naofumi Kameyama et al.
American journal of respiratory cell and molecular biology, 59(2), 179-188 (2018-02-15)
Lung cancer and chronic obstructive pulmonary disease are leading causes of morbidity and mortality worldwide, and cigarette smoking is a main risk factor for both. The presence of emphysema, an irreversible lung disease, further raises the risk of lung cancer
Identification of 11 polycyclic aromatic hydrocarbons and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in narghile smoke
Belkhiria M, et al.
Journal of Liquid Chromatography and Related Technologies, 37, 2206-2217 (2014)
Huawei Qiu et al.
mAbs, 11(7), 1266-1275 (2019-06-15)
Deamidation evaluation and mitigation is an important aspect of therapeutic antibody developability assessment. We investigated the structure and function of the Asn-Gly deamidation in a human anti-CD52 IgG1 antibody light chain complementarity-determining region 1, and risk mitigation through protein engineering.
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Global Trade Item Number

SKUGTIN
78013-10MG04061832941264