AG008GTL

850568-21-7 | 4-(4-Methylpiperidine-1-carbonyl)phenylboronic acid

AG008GTL

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CAS Number	850568-21-7
Catalog Number	AG008GTL(AGN-PC-0UX3KQ)
Chemical Name	4-(4-Methylpiperidine-1-carbonyl)phenylboronic acid
IUPAC Name	[4-(4-methylpiperidine-1-carbonyl)phenyl]boronic acid
InChI	InChI=1S/C13H18BNO3/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(5-3-11)14(17)18/h2-5,10,17-18H,6-9H2,1H3
InChI Key	YPAMJFMJEPYVFW-UHFFFAOYSA-N
MDL Number	MFCD04115676
Molecular Formula	C13H18BNO3
Molecular Weight	247.0979
SMILES	O=C(C1=CC=C(B(O)O)C=C1)N2CCC(C)CC2
Synonyms	850568-21-7, 4-(4-Methylpiperidine-1-carbonyl)phenylboronic acid, (4-(4-Methylpiperidine-1-carbonyl)phenyl)boronic acid, [4-(4-methylpiperidine-1-carbonyl)phenyl]boronic acid, ACMC-209q1k, SCHEMBL1745470, CTK5F3951, DTXSID30656857, YPAMJFMJEPYVFW-UHFFFAOYSA-N, Boronic acid,B-[4-[(4-methyl-1-piperidinyl)carbonyl]phenyl]-, ANW-38022, MFCD04115676, AKOS015842798, ZINC169744006, AB20371, RTR-026483, AS-55294, TR-026483, X2408, B-5755, I04-2429, 4-(4-METHYL-1-PIPERIDINYLCARBONYL)BENZENEBORONIC ACID, C13H18BNO3, ACN-042817, 4-(4-Methylpiperidine-1-carbonyl)benzeneboronic acid,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.138g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	247.101g/mol
Monoisotopic Mass	247.138g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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