AG003UK1

1073355-13-1 | 2-(4-Boc-piperazin-1-yl)-4-methylpyridine-5-boronic acid pinacol ester

AG003UK1

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CAS Number	1073355-13-1
Catalog Number	AG003UK1(AGN-PC-07XU1V)
Chemical Name	2-(4-Boc-piperazin-1-yl)-4-methylpyridine-5-boronic acid pinacol ester
IUPAC Name	tert-butyl 4-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
InChI	InChI=1S/C21H34BN3O4/c1-15-13-17(23-14-16(15)22-28-20(5,6)21(7,8)29-22)24-9-11-25(12-10-24)18(26)27-19(2,3)4/h13-14H,9-12H2,1-8H3
InChI Key	CQYHKQXSKLVNHE-UHFFFAOYSA-N
MDL Number	MFCD09271789
Molecular Formula	C21H34BN3O4
Molecular Weight	403.3234
SMILES	CC1=CC(N2CCN(C(OC(C)(C)C)=O)CC2)=NC=C1B3OC(C)(C(C)(O3)C)C
Synonyms	1073355-13-1, tert-Butyl 4-(4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate, 2-(4-BOC-PIPERAZIN-1-YL)-4-METHYLPYRIDINE-5-BORONIC ACID PINACOL ESTER, 2-[4-(N-Boc)piperazin-1-yl]-4-methylpyridine-5-boronic acid pinacol ester, e-1-carboxylate, tert-butyl 4-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate, SCHEMBL1561442, CTK8B3864, DTXSID80674687, CQYHKQXSKLVNHE-UHFFFAOYSA-N, ANW-43336, MFCD09271789, AKOS015949778, ZINC169746321, RP07117, RTR-001768, AK-91940, AS-48856, AX8230113, TR-001768, FT-0720358, ST24025936, Y6973, A-4840, J-507660, 2-(4-Boc-piperazin-1-yl)-4-methylpyridine-5-boronicacidpinacolester, 76447-19-3, tert -Butyl 4-(4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate, tert-butyl 4-(4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin, tert-butyl 4-[4-methyl-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyrid-2-yl]piperazine-1-carboxylate, C21H34BN3O4,

Complexity	583
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	403.264g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	403.33g/mol
Monoisotopic Mass	403.264g/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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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