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Home > Imidazoles > 81995-09-7
81995-09-7 | 1H-Imidazolium,3-dodecyl-1-methyl-, iodide (1:1)
CAS No: 81995-09-7 Catalog No: AG008KRC MDL No:
Product Description
Catalog Number:
AG008KRC
Chemical Name:
1H-Imidazolium,3-dodecyl-1-methyl-, iodide (1:1)
CAS Number:
81995-09-7
Molecular Formula:
C16H31IN2
Molecular Weight:
378.3352
IUPAC Name:
1-dodecyl-3-methylimidazol-3-ium;iodide
InChI:
InChI=1S/C16H31N2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;/h14-16H,3-13H2,1-2H3;1H/q+1;/p-1
InChI Key:
RQVJLVQTNZVVRZ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[n+]1ccn(c1)C.[I-]
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.153g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.342g/mol
Monoisotopic Mass:
378.153g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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