AG000O3F

1256355-29-9 | Boronic acid, B-[2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]-

AG000O3F

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CAS Number	1256355-29-9
Catalog Number	AG000O3F(AGN-PC-0WA562)
Chemical Name	Boronic acid, B-[2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]-
IUPAC Name	[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]boronic acid
InChI	InChI=1S/C9H15BN4O2/c1-13-2-4-14(5-3-13)9-11-6-8(7-12-9)10(15)16/h6-7,15-16H,2-5H2,1H3
InChI Key	FEYYRRPONOKNQL-UHFFFAOYSA-N
MDL Number	MFCD07375170
Molecular Formula	C9H15BN4O2
Molecular Weight	222.0520
SMILES	CN1CCN(C2=NC=C(B(O)O)C=N2)CC1
Synonyms	1256355-29-9, 2-(4-Methylpiperazino)pyrimidine-5-boronic acid, (2-(4-Methylpiperazin-1-yl)pyrimidin-5-yl)boronic acid, [2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDIN-5-YL]BORONIC ACID, ACMC-209aym, C9H15BN4O2, SCHEMBL15330361, CTK4B4601, DTXSID80681755, ANW-18476, MFCD07375170, AKOS015850888, ZINC169794745, AB41346, AK-85187, OR361463, TR-035261, X1924, I03-1452, 2-(4-Methylpiperazin-1-yl)pyrimidin-5-ylboronic acid, AldrichCPR, B-2500,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.129g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.055g/mol
Monoisotopic Mass	222.129g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.7A^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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