AG003NEK

837-52-5 | 7-Chloro-4-(piperazin-1-yl)quinoline

AG003NEK

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CAS Number	837-52-5
Catalog Number	AG003NEK(AGN-PC-0JVPDR)
Chemical Name	7-Chloro-4-(piperazin-1-yl)quinoline
IUPAC Name	7-chloro-4-piperazin-1-ylquinoline
InChI	InChI=1S/C13H14ClN3/c14-10-1-2-11-12(9-10)16-4-3-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChI Key	DNXNPMDUDGUXOB-UHFFFAOYSA-N
MDL Number	MFCD01476123
Molecular Formula	C13H14ClN3
Molecular Weight	247.7234
SMILES	C1=C(Cl)C=C2C(=C1)C(=CC=N2)N3CCNCC3
UNII	9JZN0X101D
Synonyms	7-chloro-4-(piperazin-1-yl)quinoline, 837-52-5, 7-Chloro-4-piperazinoquinoline, 7-Chloro-4-piperazin-1-yl-quinoline, 7-Chloro-4-piperazinylquinoline, 7-chloro-4-(1-piperazinyl)quinoline, 7-chloro-4-piperazin-1-ylquinoline, MLS000049580, UNII-9JZN0X101D, Quinoline, 7-chloro-4-(1-piperazinyl)-, 9JZN0X101D, (7-chloro-4-quinolyl)piperazine, 1-(7-Chloroquinolin-4-yl)piperazine, 7-chloranyl-4-piperazin-1-yl-quinoline, SMR000076122, Piperaquine Impurity I, AC1LEMGR, Chloroquinolinylpiperazine, AC1Q3KHK, AC1Q3RL6, Oprea1_754690, CHEMBL236696, cid_738389, SCHEMBL2253710, 7-chloro-4-piperazino-quinoline, BDBM56192, CTK5F1068, DTXSID50353336, DNXNPMDUDGUXOB-UHFFFAOYSA-N, HMS1699O08, HMS2368H05, ZINC171526, 1-(7-chloro-4-quinolyl)piperazine, ALBB-005730, KS-000011FF, ANW-50609, BBL020277, MFCD01476123, SBB007478, STK171908, 4-(1-Piperazinyl)-7-chloroquinoline, Piperaquine related compound A [USP], AKOS000200388, CC-1806, DS-0497, FS-2848, MCULE-9829635593, RP06049, SDCCGMLS-0012643.P002, 7-chloro-4-(piperazin-1-yl)-quinoline, 7-chloro-4-(piperazine-1-yl)quinoline, Quinoline,7-chloro-4-(1-piperazinyl)-, AK-26352, AN-47769, BAS 07566563, BR-26352, ST066350, AB0026922, DB-075974, ST2412544, TR-026007, 4CH-011627, AM20061869, BB 0216369, CS-0034950, FT-0621386, UX00001733, W8678, EN300-29379, S-3580, 7-chloro-4-piperazin-1-yl-quinoline, AldrichCPR, 837C525, A840644, I08-0045, J-519209, BRD-K55354661-001-04-2, Z57394156, 2-chloro-4-ethoxypyrimidine, C13H14ClN3, AR-1H3332, CID738389, CS-O-05513, 85117-99-3,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.088g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.726g/mol
Monoisotopic Mass	247.088g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number