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200701-28-6 | 4,4'-Bipyridinium, 1-butyl-, iodide (1:1)
CAS No: 200701-28-6 Catalog No: AG002CWH MDL No:
Product Description
Catalog Number:
AG002CWH
Chemical Name:
4,4'-Bipyridinium, 1-butyl-, iodide (1:1)
CAS Number:
200701-28-6
Molecular Formula:
C14H18IN2+
Molecular Weight:
341.2106
IUPAC Name:
1-butyl-4-pyridin-1-ium-4-ylpyridin-1-ium;diiodide
InChI:
InChI=1S/C14H17N2.2HI/c1-2-3-10-16-11-6-14(7-12-16)13-4-8-15-9-5-13;;/h4-9,11-12H,2-3,10H2,1H3;2*1H/q+1;;/p-1
InChI Key:
SVTNEASKBUXTSY-UHFFFAOYSA-M
SMILES:
CCCC[n+]1ccc(cc1)c1cc[nH+]cc1.[I-]
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.956g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
468.121g/mol
Monoisotopic Mass:
467.956g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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