933986-97-1 Purity
98%
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Specification
The molecular formula of the compound is C17H28BN3O2.
The IUPAC name of the compound is 1-ethyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine.
The InChI of the compound is InChI=1S/C17H28BN3O2/c1-6-20-9-11-21(12-10-20)15-8-7-14(13-19-15)18-22-16(2,3)17(4,5)23-18/h7-8,13H,6,9-12H2,1-5H3.
The InChIKey of the compound is DSHOOXGDGVOLGA-UHFFFAOYSA-N.
The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)CC.
The molecular weight of the compound is 317.2 g/mol.
The compound has 0 hydrogen bond donor counts.
The compound has 5 hydrogen bond acceptor counts.
The compound has 3 rotatable bond counts.
Yes, the compound is canonicalized.