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75337-72-3 | 1-METHYL-1'-PENTYL-4,4'-BIPYRIDINIUM DIIODIDE
CAS No: 75337-72-3 Catalog No: AG005YGK MDL No:
Product Description
Catalog Number:
AG005YGK
Chemical Name:
1-METHYL-1'-PENTYL-4,4'-BIPYRIDINIUM DIIODIDE
CAS Number:
75337-72-3
Molecular Formula:
C16H22I2N2
Molecular Weight:
496.1682
IUPAC Name:
1-methyl-4-(1-pentylpyridin-1-ium-4-yl)pyridin-1-ium;diiodide
InChI:
InChI=1S/C16H22N2.2HI/c1-3-4-5-10-18-13-8-16(9-14-18)15-6-11-17(2)12-7-15;;/h6-9,11-14H,3-5,10H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
RBUUPVYBNFRVQH-UHFFFAOYSA-L
SMILES:
CCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C.[I-].[I-]
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.987g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
496.175g/mol
Monoisotopic Mass:
495.987g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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