AG00389D

1050505-85-5 | (2-(Piperidin-1-yl)phenyl)boronic acid

AG00389D

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CAS Number	1050505-85-5
Catalog Number	AG00389D(AGN-PC-0L6YLD)
Chemical Name	(2-(Piperidin-1-yl)phenyl)boronic acid
IUPAC Name	(2-piperidin-1-ylphenyl)boronic acid
InChI	InChI=1S/C11H16BNO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
InChI Key	NPZUBLWFOBRQAV-UHFFFAOYSA-N
MDL Number	MFCD03095111
Molecular Formula	C11H16BNO2
Molecular Weight	205.0612
SMILES	OB(O)C1=C(C=CC=C1)N1CCCCC1
Synonyms	1050505-85-5, (2-(Piperidin-1-yl)phenyl)boronic acid, 2-(1-PIPERIDINYL)PHENYLBORONIC ACID, 2-(PIPERIDIN-1-YL)PHENYLBORONIC ACID, [2-(piperidin-1-yl)phenyl]boronic acid, ACMC-2098eo, AC1N5BZ0, CTK4A3575, DTXSID60400623, ANW-15166, MFCD03095111, (2-piperidin-1-ylphenyl)boronic acid, AKOS015854152, ZINC169855862, AB13493, RTR-001073, AK-96249, AS-55651, OR361549, AX8238340, TR-001073, CS-0044867, FT-0686448, Z6781, A-4333, I04-2895, C11H16BNO2, [2-(1-piperidyl)phenyl]boronic Acid, (2-(Piperidin-1-yl)phenyl)boronicacid, CID4192666,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.127g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.064g/mol
Monoisotopic Mass	205.127g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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