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Home > Imidazoles > 188589-28-8
188589-28-8 | 1H-Imidazolium, 1-methyl-3-octyl-, iodide (1:1)
CAS No: 188589-28-8 Catalog No: AG002H04 MDL No:
Product Description
Catalog Number:
AG002H04
Chemical Name:
1H-Imidazolium, 1-methyl-3-octyl-, iodide (1:1)
CAS Number:
188589-28-8
Molecular Formula:
C12H25IN2
Molecular Weight:
324.2448
IUPAC Name:
1-methyl-3-octyl-1,2-dihydroimidazol-1-ium;iodide
InChI:
InChI=1S/C12H24N2.HI/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-11H,3-9,12H2,1-2H3;1H
InChI Key:
GAEFPPNGRPSNEN-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1C=C[NH+](C1)C.[I-]
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.25g/mol
Monoisotopic Mass:
324.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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