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4-Methylnitrosamino-1-(3-pyridyl)-1-butanol-[d3]

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General Information
Catalog: BLP-010503
CAS: 1020719-61-2
Molecular Formula: C10H12D3N3O2
Molecular Weight: 212.26

Chemical Structure

Description	4-Methylnitrosamino-1-(3-pyridyl)-1-butanol-[d3] is the labelled analogue of 4-Methylnitrosamino-1-(3-pyridyl)-1-butanol, which is a metabolite of NNK, a tobacco-specific nitrosamine.
Synonyms	4-(Methyl-d3-nitrosamino)-1-(3-pyridyl)-1-butanol; α-[3-(Methyl-d3-nitrosoamino)propyl]-3-pyridinemethanol; NNAL-Methyl-d3; 3-Pyridinemethanol, alpha-[3-(methyl-d3-nitrosoamino)propyl]-
IUPAC Name	N-(4-hydroxy-4-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide
Related CAS	76014-81-8 (unlabelled)
Canonical SMILES	CN(CCCC(C1=CN=CC=C1)O)N=O
InChI	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
Purity	98%; ≥99% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Clear Pale Yellow Oily Matter
Storage	Store at 2-8°C under inert atmosphere