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102564-49-8 | 4,4'-Bipyridinium, 1-[6-(dihexadecylamino)-6-oxohexyl]-1'-ethyl-
CAS No: 102564-49-8 Catalog No: AG0007QG MDL No:
Product Description
Catalog Number:
AG0007QG
Chemical Name:
4,4'-Bipyridinium, 1-[6-(dihexadecylamino)-6-oxohexyl]-1'-ethyl-
CAS Number:
102564-49-8
Molecular Formula:
C50H89N3O++
Molecular Weight:
748.2612
IUPAC Name:
6-[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]-N,N-dihexadecylhexanamide
InChI:
InChI=1S/C50H89N3O/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-34-42-53(43-35-30-28-26-24-22-20-18-16-14-12-10-8-5-2)50(54)36-32-31-33-41-52-46-39-49(40-47-52)48-37-44-51(6-3)45-38-48/h37-40,44-47H,4-36,41-43H2,1-3H3/q+2
InChI Key:
FLTVHSOHVBRRNV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCN(C(=O)CCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CC)CCCCCCCCCCCCCCCC
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
747.701g/mol
Formal Charge:
2
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
748.282g/mol
Monoisotopic Mass:
747.701g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
28.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.9
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