90898-90-1 Purity
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Specification
The PubChem CID of (+/-)-Nicotine-13Cd3 is 46783612.
The molecular formula of (+/-)-Nicotine-13Cd3 is C10H14N2.
The molecular weight of (+/-)-Nicotine-13Cd3 is 166.24 g/mol.
The IUPAC name of (+/-)-Nicotine-13Cd3 is 3-[1-(trideuterio(113C)methyl)pyrrolidin-2-yl]pyridine.
The InChI of (+/-)-Nicotine-13Cd3 is InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/i1+1D3.
The InChIKey of (+/-)-Nicotine-13Cd3 is SNICXCGAKADSCV-KQORAOOSSA-N.
The canonical SMILES of (+/-)-Nicotine-13Cd3 is CN1CCCC1C2=CN=CC=C2.
(+/-)-Nicotine-13Cd3 has 0 hydrogen bond donor counts.
The topological polar surface area of (+/-)-Nicotine-13Cd3 is 16.1Ų.
Yes, (+/-)-Nicotine-13Cd3 is a canonicalized compound.