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Home > Imidazoles > 878550-42-6
878550-42-6 | 1H-Imidazolium, 1-hexadecyl-3-methyl-, iodide
CAS No: 878550-42-6 Catalog No: AG008CK8 MDL No:
Product Description
Catalog Number:
AG008CK8
Chemical Name:
1H-Imidazolium, 1-hexadecyl-3-methyl-, iodide
CAS Number:
878550-42-6
Molecular Formula:
C20H41IN2
Molecular Weight:
436.4574
IUPAC Name:
1-hexadecyl-3-methyl-1,2-dihydroimidazol-1-ium;iodide
InChI:
InChI=1S/C20H40N2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;/h18-19H,3-17,20H2,1-2H3;1H
InChI Key:
MPYMGRBOJUDOKV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC[NH+]1C=CN(C1)C.[I-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.231g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.466g/mol
Monoisotopic Mass:
436.231g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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