AG004M6M

859833-22-0 | 4-(Piperidinomethyl)phenylboronic acid, pinacol ester

AG004M6M

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CAS Number	859833-22-0
Catalog Number	AG004M6M(AGN-PC-01XFSX)
Chemical Name	4-(Piperidinomethyl)phenylboronic acid, pinacol ester
IUPAC Name	1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
InChI	InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)16-10-8-15(9-11-16)14-20-12-6-5-7-13-20/h8-11H,5-7,12-14H2,1-4H3
InChI Key	HJKVRMHVLINDRH-UHFFFAOYSA-N
MDL Number	MFCD08271932
Molecular Formula	C18H28BNO2
Molecular Weight	301.2314
SMILES	CC1(C)C(C)(C)OB(C2=CC=C(C=C2)CN3CCCCC3)O1
Synonyms	859833-22-0, 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperidine, 1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperidine, 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]piperidine, MFCD08271932, 4-(1-Piperidinylmethyl)benzeneboronic acid pinacol ester, 4-(Piperidinomethyl)phenylboronic acid, pinacol ester, 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperidine, AMTB120, SCHEMBL427977, CTK5F6129, DTXSID60594536, HJKVRMHVLINDRH-UHFFFAOYSA-N, ANW-41766, RW4024, AKOS016339726, ZINC169743713, AS-2351, QC-3630, RP00036, RTR-026819, SB15939, Piperidine,1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, DB-076511, TR-026819, CS-0052662, FT-0724402, KS-00000605, B-5344, 4-(Piperidinomethyl)phenylboronic acid pinacol ester, J-503193, 4-(Piperidin-1-ylmethyl)phenylboronic acid pinacol ester, (4-(PIPERIDIN-1-YLMETHYL)PHENYL)BORONIC ACID PINACOL ESTER, 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-piperidine, C18H28BNO2,

Complexity	355
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.221g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	301.237g/mol
Monoisotopic Mass	301.221g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	21.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3259

Certificate of Analysis

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