AG0016BK

1218791-38-8 | 4-(4-Acetylpiperazino)phenylboronic acid, pinacol ester

AG0016BK

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CAS Number	1218791-38-8
Catalog Number	AG0016BK(AGN-PC-0WA98G)
Chemical Name	4-(4-Acetylpiperazino)phenylboronic acid, pinacol ester
IUPAC Name	1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazin-1-yl]ethanone
InChI	InChI=1S/C18H27BN2O3/c1-14(22)20-10-12-21(13-11-20)16-8-6-15(7-9-16)19-23-17(2,3)18(4,5)24-19/h6-9H,10-13H2,1-5H3
InChI Key	VRZVSHHLWMAHAZ-UHFFFAOYSA-N
MDL Number	MFCD13195756
Molecular Formula	C18H27BN2O3
Molecular Weight	330.2296
SMILES	CC(N1CCN(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1)=O
Synonyms	1218791-38-8, 4-(4-Acetyl-1-piperazinyl)phenylboronic Acid Pinacol Ester, 1-(4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazin-1-yl)ethanone, MFCD13195756, 4-(4-Acetylpiperazino)phenylboronic acid pinacol ester, 4-(4-Acetylpiperazino)phenylboronic acid, pinacol ester, 1-(4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazin-1-yl)ethanone, VRZVSHHLWMAHAZ-UHFFFAOYSA-N, SCHEMBL2379423, KS-00000AUH, DTXSID40682243, AKOS022183992, ZINC169745880, AS-32354, OR360619, SY026577, AX8268849, X1773, A-3664, MFCD13195756 (95+%), 4-(4-Acetyl-1-piperazinyl)phenylboronicAcidPinacolEster, 4-(4-Acetyl-1-piperazinyl)benzeneboronic acid pinacol ester, (4-(4-acetylpiperazin-1-yl)phenyl)boronic acid pinacol ester, 1-{4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinyl}ethanone, 1-{4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazin-1-yl}ethan-1-one, 1-{4-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]piperazin-1-yl}ethanone, Ethanone, 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinyl]-, C18H27BN2O3, 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinyl]Ethanone,

Complexity	451
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	330.211g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.235g/mol
Monoisotopic Mass	330.211g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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