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78769-77-4 | 4,4'-Bipyridinium, 1-ethyl-1'-hexadecyl-
CAS No: 78769-77-4 Catalog No: AG005DY5 MDL No:
Product Description
Catalog Number:
AG005DY5
Chemical Name:
4,4'-Bipyridinium, 1-ethyl-1'-hexadecyl-
CAS Number:
78769-77-4
Molecular Formula:
C28H46N2++
Molecular Weight:
410.6782
IUPAC Name:
1-ethyl-4-(1-hexadecylpyridin-1-ium-4-yl)pyridin-1-ium
InChI:
InChI=1S/C28H46N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-25-20-28(21-26-30)27-18-23-29(4-2)24-19-27/h18-21,23-26H,3-17,22H2,1-2H3/q+2
InChI Key:
NVNPAYJQGCAHPM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.366g/mol
Formal Charge:
2
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.69g/mol
Monoisotopic Mass:
410.366g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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