AG005WCE

945756-49-0 | 4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic acid

AG005WCE

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CAS Number	945756-49-0
Catalog Number	AG005WCE(AGN-PC-07B7CE)
Chemical Name	4(tert-Butoxycarbonyl-N-methylamino)-phenylboronic acid
IUPAC Name	[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]boronic acid
InChI	InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14(4)10-7-5-9(6-8-10)13(16)17/h5-8,16-17H,1-4H3
InChI Key	IPRHVYYSYKNJDE-UHFFFAOYSA-N
MDL Number	MFCD03095105
Molecular Formula	C12H18BNO4
Molecular Weight	251.0866
SMILES	CN(C(=O)OC(C)(C)C)C1=CC=C(C=C1)B(O)O
Synonyms	945756-49-0, 4(TERT-BUTOXYCARBONYL-N-METHYLAMINO)-PHENYLBORONIC ACID, (4-((tert-Butoxycarbonyl)(methyl)amino)phenyl)boronic acid, 4-(tert-butoxycarbonyl(methyl)amino)phenylboronic acid, {4-[(tert-Butoxycarbonyl)(methyl)amino]phenyl}boronic acid, ACMC-209rsl, SCHEMBL3794821, 4-(tert-Butoxycarbonyl-N-methylamino)phenylboronic acid, CTK5H6833, DTXSID70669784, IPRHVYYSYKNJDE-UHFFFAOYSA-N, ZXBA000640, ANW-40291, MFCD03095105, AKOS015960283, ZINC169808832, NCGC00249546-01, BC000681, OR361605, AX8240098, RT-019900, V9448, 4(BOC-N-METHYLAMINO)-PHENYLBORONIC ACID, A-9043, 4-(tert-Butoxycarbonyl-N-methylamino)phenylboronic acid, AldrichCPR, C12H18BNO4,

Complexity	282
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
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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