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Home > Pyridines > 807314-60-9
807314-60-9 | Pyridinium, 1,1'-[1,4-phenylenebis(methylene)]bis[4-(1-piperidinyl)-
CAS No: 807314-60-9 Catalog No: AG005JRC MDL No:
Product Description
Catalog Number:
AG005JRC
Chemical Name:
Pyridinium, 1,1'-[1,4-phenylenebis(methylene)]bis[4-(1-piperidinyl)-
CAS Number:
807314-60-9
Molecular Formula:
C28H36N4++
Molecular Weight:
428.6122
IUPAC Name:
4-piperidin-1-yl-1-[[4-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium
InChI:
InChI=1S/C28H36N4/c1-3-15-31(16-4-1)27-11-19-29(20-12-27)23-25-7-9-26(10-8-25)24-30-21-13-28(14-22-30)32-17-5-2-6-18-32/h7-14,19-22H,1-6,15-18,23-24H2/q+2
InChI Key:
SVAAENNVLVWYJB-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)N1CCCCC1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.294g/mol
Formal Charge:
2
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.624g/mol
Monoisotopic Mass:
428.294g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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