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Home > Pyridines > 116911-80-9
116911-80-9 | 4,4'-Bipyridinium, 1-methyl-1'-octyl-, chloride (1:2)
CAS No: 116911-80-9 Catalog No: AG000DDQ MDL No:
Product Description
Catalog Number:
AG000DDQ
Chemical Name:
4,4'-Bipyridinium, 1-methyl-1'-octyl-, chloride (1:2)
CAS Number:
116911-80-9
Molecular Formula:
C19H28Cl2N2
Molecular Weight:
355.3450
IUPAC Name:
1-methyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride
InChI:
InChI=1S/C19H28N2.2ClH/c1-3-4-5-6-7-8-13-21-16-11-19(12-17-21)18-9-14-20(2)15-10-18;;/h9-12,14-17H,3-8,13H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
FXICXFQMTMXALB-UHFFFAOYSA-L
SMILES:
CCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.347g/mol
Monoisotopic Mass:
354.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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