AG00IAUG

61338-13-4 | 3-Pyridinecarboxylic acid, 2-(4-methyl-2-phenyl-1-piperazinyl)-

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CAS Number	61338-13-4
Catalog Number	AG00IAUG(AGN-PC-04TJE7)
Chemical Name	3-Pyridinecarboxylic acid, 2-(4-methyl-2-phenyl-1-piperazinyl)-
EC Number	612-130-0
IUPAC Name	2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
InChI	InChI=1S/C17H19N3O2/c1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16/h2-9,15H,10-12H2,1H3,(H,21,22)
InChI Key	HCVDLMUVEGPGGH-UHFFFAOYSA-N
MDL Number	MFCD08458719
Molecular Formula	C17H19N3O2
Molecular Weight	297.3517
SMILES	CN1CCN(C(C1)C1=CC=CC=C1)C1=C(C=CC=N1)C(O)=O
Synonyms	61338-13-4, 2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinic acid, 1-(3-CARBOXYPYRID-2-YL)-2-PHENYL-4-METHYL-PIPERAZINE, 1-(3-Carboxypyridyl-2)-2-phenyl-4-methyl piperazine, 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic acid, AK111373, 1-(3-Carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine, SCHEMBL1711306, CTK2F2798, DTXSID10431664, HCVDLMUVEGPGGH-UHFFFAOYSA-N, 2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carboxylic Acid, EBD25142, KS-00000LS9, MFCD08458719, AKOS000214602, DS-5207, OR17666, AC-28316, AN-39273, R482, AX8050504, ST2403973, 4CH-017634, CS-0061768, FT-0664345, 338C134, 1-(3-carboxypyrid-2-yl)-2-phenyl-4-methylpiperazine, 2-(4-Methyl-2-phenylpiperazino)-3-pyridinecarboxylic acid, 2-(4-methyl-2-phenylpiperazin-1-yl) pyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 2-(4-methyl-2-phenyl-1-piperazinyl)-, 3-Pyridinecarboxylicacid, 2-(4-methyl-2-phenyl-1-piperazinyl)-, 1-(3-Carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine; 2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic acid, Not Available, C17H19N3O2, CID9839188, 2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic Acid,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.148g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	297.358g/mol
Monoisotopic Mass	297.148g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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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