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4-(Methylnitrosamino)-4-(3-Pyridyl)-1-Butanol-[d3]

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4-(Methylnitrosamino)-4-(3-Pyridyl)-1-Butanol-[d3]

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General Information
Catalog: BLP-012173
CAS: 1184990-35-9
Molecular Formula: C10H12D3N3O2
Molecular Weight: 212.26

Chemical Structure

Synonyms	4-[N-(Methyl-d3)-N-nitrosamino]-4-(3-pyridyl)butane-1-ol
IUPAC Name	N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide
Related CAS	59578-66-4 (unlabelled)
Canonical SMILES	CN(C(CCCO)C1=CN=CC=C1)N=O
InChI	InChI=1S/C10H15N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3/i1D3
InChI Key	IIDMFFRDEFHWCJ-FIBGUPNXSA-N
Boiling Point	428.9±45.0 °C at 760 mmHg
Purity	95% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	Colorless to Yellow Oil to Thick Oil
Application	A toxic and carcinogenic labelled agent in dry and moist snuff.
Storage	Store at -20°C