AG0033KB

540752-87-2 | 3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester

AG0033KB

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CAS Number	540752-87-2
Catalog Number	AG0033KB(AGN-PC-0SGIH2)
Chemical Name	3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
IUPAC Name	tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
InChI	InChI=1S/C21H33BN2O4/c1-19(2,3)26-18(25)24-13-11-23(12-14-24)17-10-8-9-16(15-17)22-27-20(4,5)21(6,7)28-22/h8-10,15H,11-14H2,1-7H3
InChI Key	RJUYJGNYCCEDAH-UHFFFAOYSA-N
MDL Number	MFCD07781212
Molecular Formula	C21H33BN2O4
Molecular Weight	388.3087
SMILES	O=C(N1CCN(C2=CC(B3OC(C)(C)C(C)(C)O3)=CC=C2)CC1)OC(C)(C)C
Synonyms	540752-87-2, TERT-BUTYL 4-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PIPERAZINE-1-CARBOXYLATE, 3-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYLBORONIC ACID PINACOL ESTER, 3-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester, AK-67618, tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate, SCHEMBL521045, CTK8B3862, DTXSID60585964, RJUYJGNYCCEDAH-UHFFFAOYSA-N, BM343, ANW-43334, MFCD07781212, AKOS022182258, ZINC169794617, AB42576, BOR0001192, RTX-011862, AS-55551, OR361607, CS-0060945, C-1806, 3-(4-Boc-piperazinyl)phenylboronic acid pinacol ester, 3-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYLBORONIC ACID PINACOL ESTER 95%, 3-[4-(tert-butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester, AldrichCPR, t-butyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate, 1,1-dimethylethyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinecarboxylate, 4-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester, tert -Butyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate, tert-butyl 4-[3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate, 3-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester,

Complexity	551
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	388.253g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	388.315g/mol
Monoisotopic Mass	388.253g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.2A^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
Signal Words	warning
UN Code

Certificate of Analysis

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