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Home > Pyridines > 116911-81-0
116911-81-0 | 4,4'-Bipyridinium, 1-decyl-1'-methyl-, chloride (1:2)
CAS No: 116911-81-0 Catalog No: AG000DDP MDL No:
Product Description
Catalog Number:
AG000DDP
Chemical Name:
4,4'-Bipyridinium, 1-decyl-1'-methyl-, chloride (1:2)
CAS Number:
116911-81-0
Molecular Formula:
C21H32Cl2N2
Molecular Weight:
383.3982
IUPAC Name:
1-decyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride
InChI:
InChI=1S/C21H32N2.2ClH/c1-3-4-5-6-7-8-9-10-15-23-18-13-21(14-19-23)20-11-16-22(2)17-12-20;;/h11-14,16-19H,3-10,15H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
ULNWJSVDBKYEGA-UHFFFAOYSA-L
SMILES:
CCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.194g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.401g/mol
Monoisotopic Mass:
382.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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