AG003EHX

883738-27-0 | 3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid, pinacol ester

AG003EHX

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CAS Number	883738-27-0
Catalog Number	AG003EHX(AGN-PC-07XUKE)
Chemical Name	3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid, pinacol ester
IUPAC Name	1-methyl-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
InChI	InChI=1S/C18H29BN2O2/c1-17(2)18(3,4)23-19(22-17)16-8-6-7-15(13-16)14-21-11-9-20(5)10-12-21/h6-8,13H,9-12,14H2,1-5H3
InChI Key	PESZAXRJFGLGTR-UHFFFAOYSA-N
MDL Number	MFCD00060602
Molecular Formula	C18H29BN2O2
Molecular Weight	316.2461
SMILES	CC1(C)C(C)(C)OB(C2=CC(CN3CCN(C)CC3)=CC=C2)O1
Synonyms	883738-27-0, 1-Methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine, 3-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, MFCD09266181, 3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid pinacol ester, 3-((4-Methylpiperazin-1-yl)methyl)phenylboronic acid, pinacol ester, 1-Methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazine, 1-Methyl-4-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine, 1-methyl-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine, 1-Methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperazine, AMTB037, SCHEMBL722120, CTK8B3408, DTXSID40675312, PESZAXRJFGLGTR-UHFFFAOYSA-N, ANW-42477, AKOS016001010, ZINC169794510, AS-2279, RTR-027748, KS-0000229E, AK-95230, TR-027748, CS-0061109, FT-0731283, B-5681, 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-methylp ip erazine, 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-4-methylpiperazine, 1-methyl-4-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine, 3-(4-Methyl-1-piperazinylmethyl)benzeneboronic acid pinacol ester, AldrichCPR, C18H29BN2O2, ACN-044179,

Complexity	392
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.232g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	316.252g/mol
Monoisotopic Mass	316.232g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	24.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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