AG003UJZ

1073354-54-7 | 2-(4-Boc-piperazin-1-yl)-3-methylpyridine-5-boronic acid pinacol ester

AG003UJZ

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CAS Number	1073354-54-7
Catalog Number	AG003UJZ(AGN-PC-07XU13)
Chemical Name	2-(4-Boc-piperazin-1-yl)-3-methylpyridine-5-boronic acid pinacol ester
IUPAC Name	tert-butyl 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
InChI	InChI=1S/C21H34BN3O4/c1-15-13-16(22-28-20(5,6)21(7,8)29-22)14-23-17(15)24-9-11-25(12-10-24)18(26)27-19(2,3)4/h13-14H,9-12H2,1-8H3
InChI Key	OQIMQZMFVHOVSR-UHFFFAOYSA-N
MDL Number	MFCD08064052
Molecular Formula	C21H34BN3O4
Molecular Weight	403.3234
SMILES	O=C(N1CCN(C2=NC=C(B3OC(C)(C)C(C)(C)O3)C=C2C)CC1)OC(C)(C)C
Synonyms	1073354-54-7, tert-Butyl 4-(3-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)-3-METHYLPYRIDINE-5-BORONIC ACID PINACOL ESTER, 2-[4-(N-Boc)piperazin-1-yl]-3-methylpyridine-5-boronic acid pinacol ester, tert-butyl 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine-1-carboxylate, SCHEMBL15743396, CTK8B3865, DTXSID80674662, ANW-43337, MFCD08064052, AKOS015949842, ZINC169904145, AB43530, RP07116, RTR-001744, AS-48855, OR360745, AX8244869, TR-001744, Y6966, C-1857, J-507659, 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester, 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester, tert-butyl 4-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]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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