1020719-68-9

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1020719-68-9 Structure

Identification	Back Directory
[Name] (R,S)-N-NITROSOANABASINE-D4
[CAS] 1020719-68-9
[Synonyms] NAB-d4 NABETA-D4 (R,S)-N-NITROSOANABASINE-D4 5-(1-Nitroso-2-piperidinyl)pyridine-2,3,4,6-d4 (R,S)-N-Nitroso Anabasine-d4 (0.1 Mg/ML in Methanol) 5-(1-Nitroso-2-piperidinyl)pyridine-2,3,4,6-d₄
[Molecular Formula] C10H9D4N3O
[MDL Number] MFCD07369613
[MOL File] 1020719-68-9.mol
[Molecular Weight] 195.25

Chemical Properties	Back Directory
[Appearance] Yellow Oil
[storage temp. ] Refrigerator
[solubility ] Chloroform (Slightly), Methanol (Slightly)
[form ] Oil to Low-Melting Solid
[color ] Colourless to Orange
[InChI] InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/i3D,4D,6D,8D
[InChIKey] BXYPVKMROLGXJI-AJEVBKBKSA-N
[SMILES] N(N1CCCCC1C1=C([2H])N=C([2H])C([2H])=C1[2H])=O

Hazard Information	Back Directory
[Chemical Properties] Yellow Oil
[Uses] A labelled metabolite of tobacco, a specific N-nitrosamines.

Safety Data	Back Directory
[Symbol(GHS) ] GHS06
[Signal word ] Danger
[Hazard statements ] H301
[Precautionary statements ] P264-P270-P301+P310-P321-P330-P405-P501

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