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14549-67-8 | 3-Pyridinamine, 4-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]-
CAS No: 14549-67-8 Catalog No: AG001D47 MDL No:
Product Description
Catalog Number:
AG001D47
Chemical Name:
3-Pyridinamine, 4-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]-
CAS Number:
14549-67-8
Molecular Formula:
C17H22N4O2
Molecular Weight:
314.3822
IUPAC Name:
4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]pyridin-3-amine
InChI:
InChI=1S/C17H22N4O2/c1-22-13-3-4-16(17(11-13)23-2)21-9-7-20(8-10-21)15-5-6-19-12-14(15)18/h3-6,11-12H,7-10,18H2,1-2H3
InChI Key:
ZCKHWXUJLFQLPY-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1N1CCN(CC1)c1ccncc1N
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.389g/mol
Monoisotopic Mass:
314.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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