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Home > Pyridines > 116911-79-6
116911-79-6 | 4,4'-Bipyridinium, 1-hexyl-1'-methyl-, chloride (1:2)
CAS No: 116911-79-6 Catalog No: AG000DDR MDL No:
Product Description
Catalog Number:
AG000DDR
Chemical Name:
4,4'-Bipyridinium, 1-hexyl-1'-methyl-, chloride (1:2)
CAS Number:
116911-79-6
Molecular Formula:
C17H24Cl2N2
Molecular Weight:
327.2919
IUPAC Name:
1-hexyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride
InChI:
InChI=1S/C17H24N2.2ClH/c1-3-4-5-6-11-19-14-9-17(10-15-19)16-7-12-18(2)13-8-16;;/h7-10,12-15H,3-6,11H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
DYIJZLBEDLUOMI-UHFFFAOYSA-L
SMILES:
CCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.293g/mol
Monoisotopic Mass:
326.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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