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1983-61-5 | 4,4'-Bipyridinium, 1,1'-diethyl-, iodide (1:2)
CAS No: 1983-61-5 Catalog No: AG002BG2 MDL No:
Product Description
Catalog Number:
AG002BG2
Chemical Name:
4,4'-Bipyridinium, 1,1'-diethyl-, iodide (1:2)
CAS Number:
1983-61-5
Molecular Formula:
C14H18I2N2
Molecular Weight:
468.1151
IUPAC Name:
1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium;diiodide
InChI:
InChI=1S/C14H18N2.2HI/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;;/h5-12H,3-4H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
ZXBJDSANDCPCLD-UHFFFAOYSA-L
SMILES:
CC[n+]1ccc(cc1)c1cc[n+](cc1)CC.[I-].[I-]
Properties
Complexity:
167
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:
0
Isotope Atom Count:
0
Molecular Weight:
468.121g/mol
Monoisotopic Mass:
467.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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