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Home > Imidazoles > 548763-23-1
548763-23-1 | 1-[cyclohexyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS No: 548763-23-1 Catalog No: AG019QR3 MDL No:MFCD11099738
Product Description
Catalog Number:
AG019QR3
Chemical Name:
1-[cyclohexyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
548763-23-1
Molecular Formula:
C12H20IN3O
Molecular Weight:
349.2112
MDL Number:
MFCD11099738
IUPAC Name:
N-cyclohexyl-N,3-dimethylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C12H20N3O.HI/c1-13-8-9-15(10-13)12(16)14(2)11-6-4-3-5-7-11;/h8-11H,3-7H2,1-2H3;1H/q+1;/p-1
InChI Key:
AVEHBIJDMYZQAW-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N(C1CCCCC1)C.[I-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.216g/mol
Monoisotopic Mass:
349.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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