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

SIAL/94454 - analytical standard

Synonym: 4-(Methyl-d3-nitrosoamino)-1-(3-pyridinyl)-1-butanol; NNAL-Methyl-d3

CAS Number: 1020719-61-2
Empirical Formula (Hill Notation): C10D3H12N3O2
Molecular Weight: 212.26
MDL Number: MFCD03425608
Linear Formula: C10D3H12N3O2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-94454-1MG 1 mg
 $761.00
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application(s) cleaning products
cosmetics
food and beverages
personal care
assay ≥97.0% (HPLC)
format neat
grade analytical standard
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
manufacturer/tradename Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
mass shift M+3
Quality Level 100 
shelf life limited shelf life, expiry date on the label
SMILES string [2H]C([2H])([2H])N(CCCC(O)c1cccnc1)N=O
storage temp. 2-8°C
suitability corresponds for LC-MS
technique(s) gas chromatography (GC): suitable
  HPLC: suitable
  solid phase extraction (SPE): suitable
Analysis Note: Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
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).
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.
Symbol GHS06  GHS06
Signal word Danger
Hazard statements H301
Precautionary statements P301 + P310
Hazard Codes T
Risk Statements 25
Safety Statements 45
RIDADR UN 2810 6.1 / PGIII
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥97.0% (HPLC)
Storage Temp. 2-8°C
UNSPSC 12352104

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