AG000FN3

1150114-76-3 | 4-(4-BOC-Piperazine-1-carbonyl)phenylboronic acid

AG000FN3

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CAS Number	1150114-76-3
Catalog Number	AG000FN3(AGN-PC-0WA98T)
Chemical Name	4-(4-BOC-Piperazine-1-carbonyl)phenylboronic acid
IUPAC Name	[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]boronic acid
InChI	InChI=1S/C16H23BN2O5/c1-16(2,3)24-15(21)19-10-8-18(9-11-19)14(20)12-4-6-13(7-5-12)17(22)23/h4-7,22-23H,8-11H2,1-3H3
InChI Key	LJJBJECKHAIPNO-UHFFFAOYSA-N
MDL Number	MFCD03885073
Molecular Formula	C16H23BN2O5
Molecular Weight	334.1752
SMILES	O=C(C1=CC=C(B(O)O)C=C1)N2CCN(C(OC(C)(C)C)=O)CC2
Synonyms	1150114-76-3, 4-(4-BOC-Piperazine-1-carbonyl)phenylboronic acid, (4-(4-(tert-Butoxycarbonyl)piperazine-1-carbonyl)phenyl)boronic acid, {4-[4-(tert-Butoxycarbonyl)piperazine-1-carbonyl]phenyl}boronic acid, ACMC-2099na, SCHEMBL2556566, CTK4A9055, DTXSID80675134, LJJBJECKHAIPNO-UHFFFAOYSA-N, KS-00000OE6, ANW-16772, MFCD12025996, AKOS015836961, ZINC169904781, CS-W000858, RTR-002773, NCGC00249562-01, AK-56172, DS-14955, TR-002773, Z7560, A-3847, I04-1922, 1-Piperazinecarboxylic acid, 4-(4-boronobenzoyl)-, 1-(1,1-dimethylethyl) ester, C16H23BN2O5, ACN-044112,

Complexity	450
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.17g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	334.179g/mol
Monoisotopic Mass	334.17g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	90.3A^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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