AG007XO3

1033745-26-4 | 2-(Methylamino)pyrimidin-5-ylboronic acid

AG007XO3

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CAS Number	1033745-26-4
Catalog Number	AG007XO3(AGN-PC-09PYX8)
Chemical Name	2-(Methylamino)pyrimidin-5-ylboronic acid
IUPAC Name	[2-(methylamino)pyrimidin-5-yl]boronic acid
InChI	InChI=1S/C5H8BN3O2/c1-7-5-8-2-4(3-9-5)6(10)11/h2-3,10-11H,1H3,(H,7,8,9)
InChI Key	KZFJQCSGYDFCRC-UHFFFAOYSA-N
MDL Number	MFCD16618931
Molecular Formula	C5H8BN3O2
Molecular Weight	152.9469
SMILES	CNC1=NC=C(B(O)O)C=N1
Synonyms	1033745-26-4, (2-(Methylamino)pyrimidin-5-yl)boronic acid, 2-(METHYLAMINO)PYRIMIDIN-5-YLBORONIC ACID, [2-(methylamino)pyrimidin-5-yl]boronic acid, C5H8BN3O2, SCHEMBL1964299, CTK4A2032, DTXSID40681554, ANW-53731, FCH925262, MFCD16618931, AKOS006336510, ZINC169746195, AM86232, AK-90667, AS-55290, OR360335, AX8229313, TR-033880, ST24020167, Z6658, A-4277, I03-844,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.071g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	152.948g/mol
Monoisotopic Mass	153.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.3A^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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