AG002C82

199609-62-6 | Carbamic acid, N-[(3-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester

AG002C82

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CAS Number	199609-62-6
Catalog Number	AG002C82(AGN-PC-0QQQW5)
Chemical Name	Carbamic acid, N-[(3-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester
IUPAC Name	[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
InChI	InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChI Key	YHAQUGOSDQZIMA-UHFFFAOYSA-N
MDL Number	MFCD06246052
Molecular Formula	C12H18BNO4
Molecular Weight	251.0866
SMILES	O=C(OC(C)(C)C)NCc1cccc(c1)B(O)O
Synonyms	199609-62-6, 3-(N-Boc-aminomethyl)phenylboronic acid, (3-(((tert-Butoxycarbonyl)amino)methyl)phenyl)boronic acid, [3-(N-Boc-Aminomethyl)phenyl]boronic acid, 3-((tert-butoxycarbonylamino)methyl)phenylboronic acid, 3-((N-Boc-amino)methyl)phenylboronic acid, 3-N-(BOC)aminomethylphenylboronic acid, MFCD06246052, 3-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID, [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic Acid, 3-[(tert-butoxycarbonylamino)methyl]phenylboronic acid, (3-{[(Tert-butoxycarbonyl)amino]methyl}phenyl)boronic acid, AC1MVKI6, ACMC-209f4c, SCHEMBL1162968, CTK8B1130, DTXSID70395016, YHAQUGOSDQZIMA-UHFFFAOYSA-N, BM554, ZXBA000425, ZX-AT018525, ANW-23866, AKOS015838140, ZINC169745312, AB23612, OR13105, RP07554, RTR-009280, VB10595, n-boc-3-(aminomethyl)benzeneboronic acid, ACM199609626, CC-01630, 3-(N-BOC -Aminomethyl)phenylboronic acid, AX8000902, DB-015893, TR-009280, FT-0643861, ST24034235, X0605, 3-(boc-aminomethyl)benzeneboronic acid, 97%, A-3780, A814110, C-15469, 3 - ((N - Boc - amino)methyl)phenylboronic acid, 3-(Aminomethyl)benzeneboronic acid, N-BOC protected, 3-(N-Boc-aminomethyl)phenylboronic acid, AldrichCPR, I04-3936, J-512949, [3-(tert-Butoxycarbonylaminomethyl)phenyl]boronic acid, 3-(N-tert-butoxycarbonylaminomethyl)phenylboronic acid, 3-(tert-Butoxycarbonyl)aminomethyl-phenylboronic acid, 3-(aminomethyl)benzeneboronic acid, n-boc protected 97%, 3-{[(tert-butoxycarbonyl)amino]methyl}phenylboronic acid, 3-(n-tert-butoxycarbonyl)amino methyl phenyl boronic acid, (3-(((tert-butoxycarbonyl)amino)methyl)phenyl)-boronic acid, [3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]boronic acid, Carbamic acid, N-[(3-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester, Carbamic acid, N-[(3-boronophenyl)methyl]-,C-(1,1-dimethylethyl) ester, C12H18BNO4, ACN-042874, CID3684686, 3-(n-boc-aminomethyl)benzeneboronic acid, 3-(BOC-AMINOMETHYL)PHENYLBORONIC ACID, 3-(BOC-AMINOMETHYL)BENZENEBORONIC ACID, 3-(N-TERT-BUTOXYCARBONYL)AMINOMETHYLPHENYL BORONIC ACID,

Complexity	278
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	3
Isotope Atom Count	0
Molecular Weight	251.089g/mol
Monoisotopic Mass	251.133g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	78.8A^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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