3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester

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Catalog Number

ACMA00014864

Product Name

3-(4-Methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester

Category

Salt

IUPAC Name

(4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

Molecular Weight

330.2g/mol

Molecular Formula

C18H27BN2O3

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)15-8-6-7-14(13-15)16(22)21-11-9-20(5)10-12-21/h6-8,13H,9-12H2,1-5H3

InChI Key

ZYDMNNQZEUSDGG-UHFFFAOYSA-N

Complexity

459

Covalently-Bonded Unit Count

Exact Mass

330.211473g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

330.211473g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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