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Home > Pyridines > 741247-10-9
741247-10-9 | Pyridinium, 1,1'-[1,3-phenylenebis(methylene)]bis[4-(1-piperidinyl)-
CAS No: 741247-10-9 Catalog No: AG005HGZ MDL No:
Product Description
Catalog Number:
AG005HGZ
Chemical Name:
Pyridinium, 1,1'-[1,3-phenylenebis(methylene)]bis[4-(1-piperidinyl)-
CAS Number:
741247-10-9
Molecular Formula:
C28H36N4++
Molecular Weight:
428.6122
IUPAC Name:
4-piperidin-1-yl-1-[[3-[(4-piperidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium
InChI:
InChI=1S/C28H36N4/c1-3-14-31(15-4-1)27-10-18-29(19-11-27)23-25-8-7-9-26(22-25)24-30-20-12-28(13-21-30)32-16-5-2-6-17-32/h7-13,18-22H,1-6,14-17,23-24H2/q+2
InChI Key:
PIXGUQGDCBLRCO-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)c1cc[n+](cc1)Cc1cccc(c1)C[n+]1ccc(cc1)N1CCCCC1
Properties
Complexity:
480
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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