AG007HP5

153747-97-8 | 2-(4-BOC-piperazino)-5-bromopyridine

AG007HP5

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CAS Number	153747-97-8
Catalog Number	AG007HP5(AGN-PC-0055PF)
Chemical Name	2-(4-BOC-piperazino)-5-bromopyridine
IUPAC Name	tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate
InChI	InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-5-4-11(15)10-16-12/h4-5,10H,6-9H2,1-3H3
InChI Key	DSLVSFMWCDGZIL-UHFFFAOYSA-N
MDL Number	MFCD07369772
Molecular Formula	C14H20BrN3O2
Molecular Weight	342.2315
SMILES	O=C(N1CCN(C2=NC=C(Br)C=C2)CC1)OC(C)(C)C
Synonyms	153747-97-8, Tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate, 4-Boc-1-(5-bromo-2-pyridyl)piperazine, 2-(4-BOC-piperazino)-5-bromopyridine, 5-Bromo-2-[4-(N-boc)piperazin-1-yl]pyridine, 4-(5-Bromo-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester, MFCD07369772, 5-Bromo-2-(4-tert-butoxycarbonylpiperazin-1-yl)pyridine, 4-(5-Bromopyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester, 1-Piperazinecarboxylic acid, 4-(5-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester, ACMC-1AH70, SCHEMBL594352, CTK4C7963, KS-00000NYM, DTXSID10459984, DSLVSFMWCDGZIL-UHFFFAOYSA-N, CS-M2405, ANW-21472, ZINC12955593, AKOS013100757, AB32239, AM86656, DS-9784, RP07018, RTR-006377, AJ-63196, AK160739, SY101561, 2-(1-Boc-1-piperazinyl)-5-bromopyridine, AB0040066, TR-006377, ST24049963, Y7620, MFCD07369772 (97%), B-3189, B67413, 4-Boc-1-(5-bromo-2-pyridyl)piperazine, 97%, I02-3283, W-205748, 2-[4-(tert-Butoxycarbonyl)piperazino]-5-bromopyridine, tert-Butyl 4-(5-bromo-2-pyridinyl)-1-piperazinecarboxylate, tert-butyl 4-(5-bromopyridin-2-yl)piperazin-1-carboxylate, 1,1-dimethylethyl 4-(5-bromo-2-pyridyl)-1-piperazinecarboxylate, 4-(5-Bromo-pyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester, 1-Piperazinecarboxylicacid, 4-(5-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester, C14H20BrN3O2, CID11244775, CJ-14258,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	341.074g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	342.237g/mol
Monoisotopic Mass	341.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	45.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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