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Home > Pyridines > 122397-41-5
122397-41-5 | 2,2'-Bipyridine, 4-(2-[4,4'-bipyridinium]-1-ylethyl)-4'-methyl-
CAS No: 122397-41-5 Catalog No: AG00176F MDL No:
Product Description
Catalog Number:
AG00176F
Chemical Name:
2,2'-Bipyridine, 4-(2-[4,4'-bipyridinium]-1-ylethyl)-4'-methyl-
CAS Number:
122397-41-5
Molecular Formula:
C23H22N4++
Molecular Weight:
354.4476
IUPAC Name:
2-(4-methylpyridin-2-yl)-4-[2-(4-pyridin-1-ium-4-ylpyridin-1-ium-1-yl)ethyl]pyridine
InChI:
InChI=1S/C23H21N4/c1-18-2-11-25-22(16-18)23-17-19(3-12-26-23)6-13-27-14-7-21(8-15-27)20-4-9-24-10-5-20/h2-5,7-12,14-17H,6,13H2,1H3/q+1/p+1
InChI Key:
BWRMCAXZOOGRIK-UHFFFAOYSA-O
SMILES:
Cc1ccnc(c1)c1nccc(c1)CC[n+]1ccc(cc1)c1cc[nH+]cc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.184g/mol
Formal Charge:
2
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.457g/mol
Monoisotopic Mass:
354.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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