AG003UJW

1073354-42-3 | 4-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

AG003UJW

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CAS Number	1073354-42-3
Catalog Number	AG003UJW(AGN-PC-07873S)
Chemical Name	4-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
IUPAC Name	tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
InChI	InChI=1S/C20H32BN3O4/c1-18(2,3)26-17(25)24-13-11-23(12-14-24)16-15(9-8-10-22-16)21-27-19(4,5)20(6,7)28-21/h8-10H,11-14H2,1-7H3
InChI Key	XJWOYOCFGJJSHT-UHFFFAOYSA-N
MDL Number	MFCD07781131
Molecular Formula	C20H32BN3O4
Molecular Weight	389.2968
SMILES	O=C(N1CCN(C2=NC=CC=C2B3OC(C)(C)C(C)(C)O3)CC1)OC(C)(C)C
Synonyms	1073354-42-3, tert-Butyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate, 2-(4-Boc-1-piperazinyl)pyridine-3-boronic acid pinacol ester, 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyridine-3-boronic acid pinacol ester, Tert-Butyl 4-[3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridin-2-Yl]Piperazine-1-Carboxylate, 2-(4-BOC-Piperazino)pyridine-3-boronic acid, pinacol ester, tert-Butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine-1-carboxylate, AC1Q1N65, CTK4A5368, DTXSID40660440, ZXBA000545, ANW-53580, MFCD07781131, AKOS015950266, ZINC169745793, ACN-026050, MCULE-7013890158, RTR-001738, AS-46741, OR360742, AX8229788, TR-001738, ST24025922, A-3853, J-001835, 2-(4-BOC-Piperazino)pyridine-3-boronic acid,pinacol ester, (2-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER, 2-(4-tert-Butoxycarbonylpiperazinyl)pyridine-3-boronic acid pinacol ester, AldrichCPR, 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester, 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester, TERT-BUTYL 4-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)(PYRIDIN-2-YL)]PIPERAZINE-1-CARBOXYLATE, TERT-BUTYL 4-[3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]PIPERAZINE-1-CARBOXYLATE, 2-(4-tert-Butoxycarbonylpiperazinyl)pyridine-3-boronic acid, pinacol ester, 2-[4-(N-Boc)piperazin-1-yl]-3-methylpyridine-5-boronic acid pinacol ester,

Complexity	554
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.249g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	389.303g/mol
Monoisotopic Mass	389.249g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	64.1A^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

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