AG003E1K

352437-09-3 | 1-Boc-4-(4-Bromophenyl)piperazine

AG003E1K

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CAS Number	352437-09-3
Catalog Number	AG003E1K(AGN-PC-00GWPR)
Chemical Name	1-Boc-4-(4-Bromophenyl)piperazine
IUPAC Name	tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate
InChI	InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3
InChI Key	QKIPWYSRBGTXRG-UHFFFAOYSA-N
MDL Number	MFCD07371649
Molecular Formula	C15H21BrN2O2
Molecular Weight	341.2434
SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(Br)C=C1
Synonyms	1-Boc-4-(4-Bromophenyl)piperazine, 352437-09-3, Tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate, 4-(4-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 4-(4-Bromophenyl)piperazine-1-carboxylic acid tert-butyl ester, ACMC-1AEC7, SCHEMBL1115306, Jsp006350, CTK4H4017, DTXSID60473892, QKIPWYSRBGTXRG-UHFFFAOYSA-N, BCP21015, CS-M2469, ZINC8700558, ANW-28122, MFCD07371649, AKOS015837011, AB32631, PS-7009, RL03317, RTR-014563, TRA0000614, AJ-58408, AN-13399, CJ-13505, SC-27395, SY003572, AB0002084, TR-014563, V5428, 4-(4-Bromophenyl)piperazine,N1-BOC protected, C-1782, MFCD07371649 (97+%), 1-tert-butoxycarbonyl-4-(4-bromophenyl)piperazine, A822669, J-504365, 1-(4-bromophenyl)-4-(tert-butoxycarbonyl)piperazine, I14-17372, tert-butyl 4-(4-bromophenyl)-1-piperazinecarboxylate, 4-(4-bromophenyl)-1-piperazinecarboxylic acid tert-butyl ester, 4-(4-bromophenyl)-piperazine-1-carboxylic acid ter-butyl ester, 4-(4-bromophenyl)-piperazine-1-carboxylic acid tert-butyl ester, 1-Piperazinecarboxylicacid, 4-(4-bromophenyl)-, 1,1-dimethylethyl ester, C15H21BrN2O2, ACN-051275, CID11824027, 1-(N-Pivaloyl)-4-(4-Bromophenyl)piperazine, C2179, 4- -PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	340.079g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	341.249g/mol
Monoisotopic Mass	340.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	32.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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