AG000VE9

1310404-00-2 | tert-Butyl 4-(2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl)piperazine-1-carboxylate

AG000VE9

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CAS Number	1310404-00-2
Catalog Number	AG000VE9(AGN-PC-08YRYX)
Chemical Name	tert-Butyl 4-(2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl)piperazine-1-carboxylate
IUPAC Name	tert-butyl 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperazine-1-carboxylate
InChI	InChI=1S/C23H37BN2O5/c1-21(2,3)29-20(27)26-14-12-25(13-15-26)16-17-28-19-10-8-18(9-11-19)24-30-22(4,5)23(6,7)31-24/h8-11H,12-17H2,1-7H3
InChI Key	PGZDXKDNXDRWHV-UHFFFAOYSA-N
MDL Number	MFCD12827855
Molecular Formula	C23H37BN2O5
Molecular Weight	432.3613
SMILES	CC(C)(C)OC(=O)N1CCN(CCOC2=CC=C(C=C2)B2OC(C)(C)C(C)(C)O2)CC1
Synonyms	1310404-00-2, tert-Butyl 4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)piperazine-1-carboxylate, tert-Butyl 4-(2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl)piperazine-1-carboxylate, tert-Butyl 4-{2-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl}piperazine-1-carboxylate, TERT-BUTYL 4-{2-[4-(4,4,5,5-TETRAMETHYL[1,3,2]DIOXABOROLAN-2-YL)PHENOXY]ETHYL}PIPERAZINE-1-CARBOXYLATE, tert-Butyl 4-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperazine-1-carboxylate, ACMC-209bk8, C23H37BN2O5, CTK7G3454, DTXSID40679673, KS-00000QR9, ANW-19254, MFCD12827855, SBB052550, AKOS015896986, ZINC169955745, AK-96316, DS-18067, OR361624, AX8240108, TC-107999, Z9530, B-7084, I06-2538, 1-Piperazinecarboxylic acid, 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]-, 1,1-dimethylethyl ester, tert-butyl 4-(2-(4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenoxy)ethyl)piperazine-1-carboxylate, tert-butyl 4-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl} piperazinecarboxylate, PGZDXKDNXDRWHV-UHFFFAOYSA-N, tert-Butyl 4-(2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]ethyl)piperazine-1-carboxyla,

Complexity	590
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	432.28g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	432.368g/mol
Monoisotopic Mass	432.28g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	60.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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