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3-(4-Methylaminobutyryl)pyridine-[d4] Dihydrochloride

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General Information
Catalog: BLP-012235
CAS: 764661-23-6
Molecular Formula: C10H12D4Cl2N2O
Molecular Weight: 255.18

Chemical Structure

Description	3-(4-Methylaminobutyryl)pyridine-[d4] Dihydrochloride is the labelled analogue of 3-(4-Methylaminobutyryl)pyridine Dihydrochloride, which is an amino ketone metabolite of nicotine, and a precursor to NNK.
Synonyms	Pseudooxynicotine-d4 DiHydrochloride; 4-(Methylamino)-1-(3-pyridyl-d4)-1-butanone Dihydrochloride
IUPAC Name	4-(methylamino)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)butan-1-one;dihydrochloride
Related CAS	66093-90-1 (unlabelled) 794485-44-2 (free base)
Canonical SMILES	CNCCCC(=O)C1=CN=CC=C1.Cl.Cl
InChI	InChI=1S/C10H14N2O.2ClH/c1-11-6-3-5-10(13)9-4-2-7-12-8-9;;/h2,4,7-8,11H,3,5-6H2,1H3;2*1H/i2D,4D,7D,8D;;
InChI Key	MFQNPOXUAKSUPV-FPAVXYEGSA-N
Melting Point	>150°C (dec.)
Purity	98% atom D
Solubility	Soluble in Methanol, Water
Appearance	White to Off-white Solid
Application	An amino ketone metabolite of nicotine, and precursor to NNK.
Storage	Store at -20°C