AG00CIY1

412347-30-9 | 1-(5-Bromo-3-pyridyl)piperazine

AG00CIY1

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CAS Number	412347-30-9
Catalog Number	AG00CIY1(AGN-PC-0MUN7G)
Chemical Name	1-(5-Bromo-3-pyridyl)piperazine
IUPAC Name	1-(5-bromopyridin-3-yl)piperazine
InChI	InChI=1S/C9H12BrN3/c10-8-5-9(7-12-6-8)13-3-1-11-2-4-13/h5-7,11H,1-4H2
InChI Key	ACYRDEABHZRABW-UHFFFAOYSA-N
MDL Number	MFCD09910230
Molecular Formula	C9H12BrN3
Molecular Weight	242.1157
SMILES	BrC1=CN=CC(N2CCNCC2)=C1
Synonyms	1-(5-bromopyridin-3-yl)piperazine, 412347-30-9, 1-(5-Bromo-3-pyridyl)piperazine, 5-Bromo-3-(piperazin-1-yl)pyridine, SCHEMBL3067811, CTK4I4483, DTXSID50431865, BH397, 5669AB, FC0409, RW3600, ZINC26898972, AKOS015966885, Piperazine,1-(5-bromo-3-pyridinyl)-, QC-2515, RL03593, AJ-83255, AB0048788, FT-0647112, B67500, J-503407, C9H12BrN3, CID9856208, A6842,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.021g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.12g/mol
Monoisotopic Mass	241.021g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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