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Merck
CN

94454

Supelco

4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanol

analytical standard

Synonym(s):

4-(Methyl-d3-nitrosoamino)-1-(3-pyridinyl)-1-butanol, NNAL-Methyl-d3

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About This Item

Empirical Formula (Hill Notation):
C10D3H12N3O2
CAS Number:
1020719-61-2
Molecular Weight:
212.26
MDL number:
MFCD03425608
UNSPSC Code:
12352104
PubChem Substance ID:
329770341
NACRES:
NA.24

Key Documents

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grade

analytical standard

Assay

≥97.0% (HPLC)

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

suitability

corresponds for LC-MS

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

mass shift

M+3

storage temp.

2-8°C

SMILES string

[2H]C([2H])([2H])N(CCCC(O)c1cccnc1)N=O

InChI

1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3/i1D3

InChI key

OGRXKBUCZFFSTL-FIBGUPNXSA-N

Related Categories

General description

Nitrosamines are chemical compounds that can form during drug manufacturing and may pose health risks, including carcinogenicity.
4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanol 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-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanol may be used as an analytical reference standard for the quantification of tobacco-specific nitrosamines in urine samples using liquid chromatography-tandem mass spectrometry (LC-MS/MS).

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 crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM9690
BCCM3671
BCCL0371
BCCH0709
BCCG3274

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Tobacco-specific nitrosamines--Determination of N-nitrosoanabasine, N-nitrosoanatabine, N-nitrosonornicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol in urine by LC-MS/MS [Biomonitoring methods, 2019]
Scherer G, et al.
The MAK-Collection for Occupational Health and Safety, 4, 2416-2441 (2002)

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