AG00D8FF

489446-42-6 | 4-(N-Boc-aminomethyl)phenylboronic acid

AG00D8FF

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CAS Number	489446-42-6
Catalog Number	AG00D8FF(AGN-PC-0L1766)
Chemical Name	4-(N-Boc-aminomethyl)phenylboronic acid
IUPAC Name	[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
InChI	InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-4-6-10(7-5-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChI Key	MUBGEKQUCSEECZ-UHFFFAOYSA-N
MDL Number	MFCD04115637
Molecular Formula	C12H18BNO4
Molecular Weight	251.0866
SMILES	C(C)(C)(C)OC(=O)NCC1=CC=C(C=C1)B(O)O
Synonyms	489446-42-6, 4-(N-Boc-aminomethyl)phenylboronic acid, 4-((N-Boc-amino)methyl)phenylboronic acid, (4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)boronic acid, 4-[(N-BOC-Amino)methyl]phenylboronic acid, 4-N-(BOC)aminomethylphenylboronic acid, 4-((tert-butoxycarbonylamino)methyl)phenylboronic acid, 4-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID, MFCD04115637, AK-35309, [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic Acid, 4-[(tert-butoxycarbonylamino)methyl]phenylboronic acid, (4-{[(tert-butoxycarbonyl)amino]methyl}phenyl)boronic acid, [4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]boronic acid, PubChem5211, ACMC-1BNBP, AC1MYW25, SCHEMBL433769, CTK7I2601, DTXSID30397536, MUBGEKQUCSEECZ-UHFFFAOYSA-N, BM555, ZXBA000426, ZX-AT002090, ANW-30713, OR4097, AKOS015891165, ZINC169745722, AB20301, FS-5936, RP07555, RTR-017754, VB10639, 4-(N-Boc-aminomethyl)-phenylboronic acid, CC-16125, [4-(N-boc-aminomethyl)phenyl]boronic acid, 4-(N-BOC -Aminomethyl)phenylboronic acid, AX8000903, DB-016027, ST2402365, TR-017754, AM20040554, FT-0644741, X0863, A-3781, 4-((tert-butoxycarbonyl)methyl)phenylboronic acid, A821607, A827631, C-15467, 4-(Aminomethyl)benzeneboronic acid, N-BOC protected, I01-9086, J-515850, 4-(tert-butoxycarbonylamino-methyl)phenylboronic acid, 4-(tert-butoxycarbonylaminomethyl)-phenylboronic acid, 4-((N-Boc-amino)methyl)phenylboronic acid, AldrichCPR, 4-(N-tert-Butoxycarbonyl-aminomethyl)phenylboronic acid, 4-{[(tert-butoxycarbonyl)amino]methyl}phenylboronic acid, [4-(N-tert-butoxycarbonyl-aminomethyl)phenyl]boronic acid, (4-((((tert-Butoxy)carbonyl)amino)methyl)phenyl)boronic acid, (4-(((tert-butoxycarbonyl)-amino)methyl)-phenyl)boronic acid, (4-(((tert-butoxycarbonyl)amino)-methyl)phenyl)boronic acid, (4-(((tert-butoxycarbonyl)amino)methyl)-phenyl)boronic acid, (4-(((tert-butoxycarbonyl)-amino)-methyl)-phenyl)-boronic acid, 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, AldrichCPR, Carbamicacid, N-[(4-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester, C12H18BNO4, ACN-032543, CID3863163, 4-(BOC-AMINOMETHYL)PHENYLBORONIC ACID, 4-(BOC-AMINOMETHYL)BENZENEBORONIC ACID, 330794-35-9,

Complexity	270
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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