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14549-65-6 | 3-Pyridinamine, 4-[4-(2-methoxyphenyl)-1-piperazinyl]-
CAS No: 14549-65-6 Catalog No: AG001D3R MDL No:
Product Description
Catalog Number:
AG001D3R
Chemical Name:
3-Pyridinamine, 4-[4-(2-methoxyphenyl)-1-piperazinyl]-
CAS Number:
14549-65-6
Molecular Formula:
C16H20N4O
Molecular Weight:
284.3562
IUPAC Name:
4-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
InChI:
InChI=1S/C16H20N4O/c1-21-16-5-3-2-4-15(16)20-10-8-19(9-11-20)14-6-7-18-12-13(14)17/h2-7,12H,8-11,17H2,1H3
InChI Key:
VJMHJNJMFJEXJW-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)c1ccncc1N
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.164g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.363g/mol
Monoisotopic Mass:
284.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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