AG000J0L

1227068-67-8 | 1-Acetyl-5,6-dihydro-2H-pyridine-4-boronic acid, pinacol ester

AG000J0L

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CAS Number	1227068-67-8
Catalog Number	AG000J0L(AGN-PC-0BG7QO)
Chemical Name	1-Acetyl-5,6-dihydro-2H-pyridine-4-boronic acid, pinacol ester
IUPAC Name	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
InChI	InChI=1S/C13H22BNO3/c1-10(16)15-8-6-11(7-9-15)14-17-12(2,3)13(4,5)18-14/h6H,7-9H2,1-5H3
InChI Key	RENBVEOCTVQABH-UHFFFAOYSA-N
MDL Number	MFCD18427628
Molecular Formula	C13H22BNO3
Molecular Weight	251.1297
SMILES	CC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Synonyms	1227068-67-8, 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl)ethanone, AK-92057, 1-Acetyl-5,6-dihydro-2H-pyridine-4-boronic acid, pinacol ester, 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl)ethan-1-one, Ethanone, 1-[3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinyl]-, RENBVEOCTVQABH-UHFFFAOYSA-N, 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, C13H22BNO3, SCHEMBL2491645, CTK8B6475, KS-00000PZS, DTXSID60718235, BCP13664, ANW-53508, BBL102699, MFCD18427628, STL556504, AKOS015999311, ZINC169746341, AM80909, CS-W019712, EBD2220306, FCH2804523, DS-17506, SY034534, AB0043917, TC-142253, 4CH-011727, ST24021065, Z1883, MFCD18427628 (97%), A-3650, 1-Acetyl-5,6-dihydro-2H-pyridine-4-boronic acid pinacol ester, 1-Acetyl-5,6-dihydro-2H-pyridine-4-boronic acid,pinacol ester, 1-Acetyl-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester, (1-ACETYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)BORONIC ACID PINACOL ESTER, 1-[3,6-Dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinyl]ethanone, 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinyl]ethanone, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl]ethanone, 1-(4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl)ethanone, 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H) -yl)ethanone, 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl) ethanone, Diethyl diallylmalonate, ACN-046444, 3195-24-2,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.169g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.133g/mol
Monoisotopic Mass	251.169g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number