91045-36-2 Purity
96%
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The molecular formula of the compound is C19H31BN2O3.
The molecular weight of the compound is 346.3 g/mol.
The IUPAC name of the compound is 1-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine.
The InChI of the compound is InChI=1S/C19H31BN2O3/c1-18(2)19(3,4)25-20(24-18)16-6-8-17(9-7-16)23-15-14-22-12-10-21(5)11-13-22/h6-9H,10-15H2,1-5H3.
The InChIKey of the compound is WSCWCKAPDGWCOS-UHFFFAOYSA-N.
The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCCN3CCN(CC3)C.
The CAS number of the compound is 910462-34-9.
The hydrogen bond donor count of the compound is 0.
The hydrogen bond acceptor count of the compound is 5.
Yes, the compound is canonicalized.