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Home > Imidazoles > 872338-05-1
872338-05-1 | 1H-Imidazolium, 1,1'-(1,3-phenylene)bis[3-butyl-, diiodide
CAS No: 872338-05-1 Catalog No: AG004RI9 MDL No:
Product Description
Catalog Number:
AG004RI9
Chemical Name:
1H-Imidazolium, 1,1'-(1,3-phenylene)bis[3-butyl-, diiodide
CAS Number:
872338-05-1
Molecular Formula:
C20H32I2N4
Molecular Weight:
582.3038
IUPAC Name:
3-butyl-1-[3-(3-butyl-1,2-dihydroimidazol-1-ium-1-yl)phenyl]-1,2-dihydroimidazol-1-ium;diiodide
InChI:
InChI=1S/C20H30N4.2HI/c1-3-5-10-21-12-14-23(17-21)19-8-7-9-20(16-19)24-15-13-22(18-24)11-6-4-2;;/h7-9,12-16H,3-6,10-11,17-18H2,1-2H3;2*1H
InChI Key:
BLKQHGNKHQYSIO-UHFFFAOYSA-N
SMILES:
CCCCN1C=C[NH+](C1)c1cccc(c1)[NH+]1C=CN(C1)CCCC.[I-].[I-]
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.072g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
582.313g/mol
Monoisotopic Mass:
582.072g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
15.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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