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Home > Pyridines > 114094-52-9
114094-52-9 | 4,4'-Bipyridinium, 1-ethyl-1'-octadecyl-
CAS No: 114094-52-9 Catalog No: AG000AJD MDL No:
Product Description
Catalog Number:
AG000AJD
Chemical Name:
4,4'-Bipyridinium, 1-ethyl-1'-octadecyl-
CAS Number:
114094-52-9
Molecular Formula:
C30H50N2++
Molecular Weight:
438.7314
IUPAC Name:
1-ethyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium
InChI:
InChI=1S/C30H50N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-27-22-30(23-28-32)29-20-25-31(4-2)26-21-29/h20-23,25-28H,3-19,24H2,1-2H3/q+2
InChI Key:
GVMIJWVMCLMVSI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CC
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.397g/mol
Formal Charge:
2
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.744g/mol
Monoisotopic Mass:
438.397g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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