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132521-78-9 | 3-Pyridinecarboxylic acid, 6-(1-piperazinyl)-, ethyl ester
CAS No: 132521-78-9 Catalog No: AG0010SQ MDL No:MFCD00894968
Product Description
Catalog Number:
AG0010SQ
Chemical Name:
3-Pyridinecarboxylic acid, 6-(1-piperazinyl)-, ethyl ester
CAS Number:
132521-78-9
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD00894968
IUPAC Name:
ethyl 6-piperazin-1-ylpyridine-3-carboxylate
InChI:
InChI=1S/C12H17N3O2/c1-2-17-12(16)10-3-4-11(14-9-10)15-7-5-13-6-8-15/h3-4,9,13H,2,5-8H2,1H3
InChI Key:
AMCQVTYZNLAJHD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)N1CCNCC1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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