AG003BK4

756817-82-0 | Boronic acid, [2-(dimethylamino)-5-pyrimidinyl]- (9CI)

AG003BK4

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CAS Number	756817-82-0
Catalog Number	AG003BK4(AGN-PC-07ADZ2)
Chemical Name	Boronic acid, [2-(dimethylamino)-5-pyrimidinyl]- (9CI)
IUPAC Name	[2-(dimethylamino)pyrimidin-5-yl]boronic acid
InChI	InChI=1S/C6H10BN3O2/c1-10(2)6-8-3-5(4-9-6)7(11)12/h3-4,11-12H,1-2H3
InChI Key	JHGMROYFIMQNCI-UHFFFAOYSA-N
MDL Number	MFCD05861599
Molecular Formula	C6H10BN3O2
Molecular Weight	166.9735
SMILES	CN(C)C1=NC=C(C=N1)B(O)O
Synonyms	756817-82-0, (2-(Dimethylamino)pyrimidin-5-yl)boronic acid, 2-DIMETHYLAMINOPYRIMIDINE-5-BORONIC ACID, 2-DIMETHYLAMINOPYRIMIDINYL-5-BORONIC ACID, 2-(dimethylamino)pyrimidin-5-ylboronic acid, [2-(Dimethylamino)pyrimidin-5-yl]boronic acid, BORONIC ACID, [2-(DIMETHYLAMINO)-5-PYRIMIDINYL]-, AK-61937, ACMC-209ozj, SCHEMBL190572, C6H10BN3O2, CTK5E1875, DTXSID60666363, JHGMROYFIMQNCI-UHFFFAOYSA-N, ABBYPHARMA AP-12-1015, KS-00000P4C, ANW-36653, FCH881686, MFCD10696933, AKOS006304829, ZINC169747353, AB58565, AM87174, QC-8161, RTR-024311, 2-dimethylamino-pyrimidin-5-boronic acid, BC001741, DA-03624, DS-14894, OR360266, SY066221, 2-(Dimethylamino)pyrimidine-5-boronic Acid, AB0028883, AX8217854, ST2402168, TR-024311, CS-0061715, FT-0742260, X0982, MFCD10696933 (95%), B-3963, F10094, I03-843, Boronic acid,B-[2-(dimethylamino)-5-pyrimidinyl]-, 2-dimethylaminopyrimidinyl-5-boronic acid, AldrichCPR, 2-(DIMETHYLAMINO)PYRIMIDIN-5-YL-5-BORONIC ACID, 2-(N,N-DIMETHYLAMINO)PYRIMIDINE-5-BORONIC ACID, Boronicacid,[2- -5-pyrimidinyl]-, Boronic acid, [2-(dimethylamino)-5-pyrimidinyl]- (9CI),

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.087g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.975g/mol
Monoisotopic Mass	167.087g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	69.5A^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-P305+P351+P338
UN Code

Certificate of Analysis

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