AG00DADK

457613-78-4 | (4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenyl)boronic acid

AG00DADK

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CAS Number	457613-78-4
Catalog Number	AG00DADK(AGN-PC-0RU1M5)
Chemical Name	(4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenyl)boronic acid
IUPAC Name	[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid
InChI	InChI=1S/C15H23BN2O4/c1-15(2,3)22-14(19)18-10-8-17(9-11-18)13-6-4-12(5-7-13)16(20)21/h4-7,20-21H,8-11H2,1-3H3
InChI Key	BXGOBSWUEXKOIH-UHFFFAOYSA-N
MDL Number	MFCD10696663
Molecular Formula	C15H23BN2O4
Molecular Weight	306.1651
SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(C=C1)B(O)O
Synonyms	457613-78-4, 4-(4-BOC-Piperazino)phenylboronic acid, (4-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)PHENYL)BORONIC ACID, 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)phenylboronic acid, (4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenyl)boronic acid, [4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic Acid, 4-[4-(tert-butoxycarbonyl)-1-piperazinyl]phenylboronic acid, {4-[4-(tert-butoxycarbonyl)piperazin-1-yl]phenyl}boronic acid, 4-[4-(tert-butoxycarbonyl)piperazin-1-yl]phenylboronic acid, AC1NR1T1, SCHEMBL426841, ACMC-209k48, CTK4I8943, DTXSID70411922, BXGOBSWUEXKOIH-UHFFFAOYSA-N, ANW-30342, MFCD10696663, AKOS015837010, ZINC169934989, AB57872, NCGC00249548-01, AS-42694, OR360477, SC-90778, AX8211321, DB-070679, TR-036831, CS-0060942, FT-0654241, X0811, A-3851, A826889, S14-0829, (4-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYL)B, 4-(4-(tert-Butoxycarbonyl)piperazin-1yl)phenylboronic acid, (4-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}phenyl)boronic acid, [4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]phenyl]boronic acid, C15H23BN2O4, CID5233014,

Complexity	370
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.175g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	306.169g/mol
Monoisotopic Mass	306.175g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	73.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number