AG007WBB

1073372-01-6 | 2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid, pinacol ester

AG007WBB

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CAS Number	1073372-01-6
Catalog Number	AG007WBB(AGN-PC-06V8J9)
Chemical Name	2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid, pinacol ester
IUPAC Name	1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl]ethanone
InChI	InChI=1S/C17H26BN3O3/c1-13(22)20-8-10-21(11-9-20)15-7-6-14(12-19-15)18-23-16(2,3)17(4,5)24-18/h6-7,12H,8-11H2,1-5H3
InChI Key	RNFCDPMIZSSWDQ-UHFFFAOYSA-N
MDL Number	MFCD09027063
Molecular Formula	C17H26BN3O3
Molecular Weight	331.2176
SMILES	CC(N1CCN(C2=NC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1)=O
Synonyms	1073372-01-6, 1-(4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin-1-yl)ethanone, 2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid, pinacol ester, 2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid pinacol ester, 1-(4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin-1-yl)ethan-1-one, 1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl]ethanone, 1-{4-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl}ethan-1-one, SCHEMBL1390680, CTK8E7046, DTXSID40656449, ZXBA000487, ZX-AT021665, MFCD09027063, OR3181, AKOS015950071, ZINC169743789, MB06744, RTR-001786, AS-48841, BC000069, AX8244868, TR-001786, J-505888, 6-(4-ACETYLPIPERAZIN-1-YL)PYRIDINE-3-BORONIC ACID PINACOL ESTER, 1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazin-1-yl]ethanone, 1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazino]ethanone, 1-{4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl}ethanone, 2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid pinacol ester, AldrichCPR, 1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1-piperazinyl]ethanone, A-3665,

Complexity	462
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	331.207g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	331.223g/mol
Monoisotopic Mass	331.207g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number