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290300-93-5 | 4-Pyridinecarboxylic acid, 2-(4-methyl-1-piperazinyl)-, ethyl ester
CAS No: 290300-93-5 Catalog No: AG002V98 MDL No:
Product Description
Catalog Number:
AG002V98
Chemical Name:
4-Pyridinecarboxylic acid, 2-(4-methyl-1-piperazinyl)-, ethyl ester
CAS Number:
290300-93-5
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
IUPAC Name:
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
InChI:
InChI=1S/C13H19N3O2/c1-3-18-13(17)11-4-5-14-12(10-11)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3
InChI Key:
HGMRXLZVAAVHGD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(c1)N1CCN(CC1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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