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Home > Imidazoles > 887122-14-7
887122-14-7 | 1H-Imidazolium, 1-methyl-3-octadecyl-, iodide
CAS No: 887122-14-7 Catalog No: AG00898B MDL No:
Product Description
Catalog Number:
AG00898B
Chemical Name:
1H-Imidazolium, 1-methyl-3-octadecyl-, iodide
CAS Number:
887122-14-7
Molecular Formula:
C22H45IN2
Molecular Weight:
464.5106
IUPAC Name:
1-methyl-3-octadecyl-1,2-dihydroimidazol-1-ium;iodide
InChI:
InChI=1S/C22H44N2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21-20-23(2)22-24;/h20-21H,3-19,22H2,1-2H3;1H
InChI Key:
ZCMOLECLSQSCEA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1C=C[NH+](C1)C.[I-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.263g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.52g/mol
Monoisotopic Mass:
464.263g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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