AG004CYY

887831-90-5 | 3-(N-BOC-N-methylamino)phenylboronic acid

AG004CYY

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CAS Number	887831-90-5
Catalog Number	AG004CYY(AGN-PC-0AC0Z1)
Chemical Name	3-(N-BOC-N-methylamino)phenylboronic acid
IUPAC Name	[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]boronic acid
InChI	InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14(4)10-7-5-6-9(8-10)13(16)17/h5-8,16-17H,1-4H3
InChI Key	QFRSVPDEEDBLOS-UHFFFAOYSA-N
MDL Number	MFCD03095104
Molecular Formula	C12H18BNO4
Molecular Weight	251.0866
SMILES	C(C)(C)(C)OC(=O)N(C=1C=C(C=CC1)B(O)O)C
Synonyms	887831-90-5, 3-(N-BOC-N-methylamino)phenylboronic acid, (3-((tert-Butoxycarbonyl)(methyl)amino)phenyl)boronic acid, 2096341-60-3, {3-[(tert-Butoxycarbonyl)(methyl)amino]phenyl}boronic acid, ACMC-209qxf, CTK8B2583, DTXSID70716580, ANW-39169, MFCD03095104, AKOS015893119, ZINC169746182, OR360073, AX8228933, TC-127914, ST24020317, V8720, Y2417, B-8329, I04-1915, 3-(N-methyl-N-tert-butoxycarbonylamino)phenylboronic acid, C12H18BNO4, (3-((tert-Butoxycarbonyl)(methyl)amino)phenyl)boronicacid,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.133g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	251.089g/mol
Monoisotopic Mass	251.133g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number