AG003N0Q

5463-36-5 | 6,6-Methylenebis[4-methyl-2-(1-piperidinyl)-quinoline trihydrochloride

AG003N0Q

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CAS Number	5463-36-5
Catalog Number	AG003N0Q(AGN-PC-0SHR2K)
Chemical Name	6,6-Methylenebis[4-methyl-2-(1-piperidinyl)-quinoline trihydrochloride
IUPAC Name	4-methyl-6-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)methyl]-2-piperidin-1-ylquinoline;trihydrochloride
InChI	InChI=1S/C31H36N4.3ClH/c1-22-17-30(34-13-5-3-6-14-34)32-28-11-9-24(20-26(22)28)19-25-10-12-29-27(21-25)23(2)18-31(33-29)35-15-7-4-8-16-35;;;/h9-12,17-18,20-21H,3-8,13-16,19H2,1-2H3;3*1H
InChI Key	VEBRTBCMAWVZGV-UHFFFAOYSA-N
MDL Number	MFCD28016467
Molecular Formula	C31H39Cl3N4
Molecular Weight	574.0272
SMILES	Cc1cc(nc2c1cc(cc2)Cc1ccc2c(c1)c(C)cc(n2)N1CCCCC1)N1CCCCC1.Cl.Cl.Cl
Synonyms	5463-36-5, 6,6-methylenebis[4-methyl-2-(1-piperidinyl)-quinoline trihydrochloride, Bis(4-methyl-2-(piperidin-1-yl)quinolin-6-yl)methane trihydrochloride, AKOS030228517, KS-0000007S, TRA-0198846, AS-72629, Quinoline,6,6-methylenebis[4-methyl-2-(1-piperidinyl)-,trihydrochloride, 4-methyl-6-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)methyl]-2-piperidin-1-ylquinoline, 4-METHYL-6-{[4-METHYL-2-(PIPERIDIN-1-YL)QUINOLIN-6-YL]METHYL}-2-(PIPERIDIN-1-YL)QUINOLINE TRIHYDROCHLORIDE,

Complexity	615
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	572.22403g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	574g/mol
Monoisotopic Mass	572.22403g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	32.3Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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