AG0099C7

1092119-20-4 | 6-Pivalamidopyridine-3-boronic acid pinacol ester

AG0099C7

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CAS Number	1092119-20-4
Catalog Number	AG0099C7(AGN-PC-0OZBUD)
Chemical Name	6-Pivalamidopyridine-3-boronic acid pinacol ester
IUPAC Name	2,2-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide
InChI	InChI=1S/C16H25BN2O3/c1-14(2,3)13(20)19-12-9-8-11(10-18-12)17-21-15(4,5)16(6,7)22-17/h8-10H,1-7H3,(H,18,19,20)
InChI Key	VEJSJRSRWKQFCJ-UHFFFAOYSA-N
MDL Number	MFCD13191341
Molecular Formula	C16H25BN2O3
Molecular Weight	304.1923
SMILES	CC(C(NC1=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1)=O)(C)C
Synonyms	1092119-20-4, N-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide, 6-Pivalamidopyridine-3-boronic Acid Pinacol Ester, 6-(PIVALAMIDO)PYRIDINE-3-BORONIC ACID PINACOL ESTER, SCHEMBL2119494, DTXSID00726091, VEJSJRSRWKQFCJ-UHFFFAOYSA-N, 6460AJ, MFCD13191341, AKOS022184198, ZINC169999478, 2,2-Dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propanamide, 2,2-dimethyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide, DA-16866, SY017036, FT-0746452, MFCD13191341 (95%), D-5023, 2,2-dimethyl-N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide, C16H25BN2O3,

Complexity	416
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	304.196g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	304.197g/mol
Monoisotopic Mass	304.196g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	60.4A^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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