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Home > Imidazoles > 1078139-34-0
1078139-34-0 | 1-[cyclohexyl(ethyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS No: 1078139-34-0 Catalog No: AG019QRE MDL No:MFCD08264995
Product Description
Catalog Number:
AG019QRE
Chemical Name:
1-[cyclohexyl(ethyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1078139-34-0
Molecular Formula:
C13H22IN3O
Molecular Weight:
363.2378
MDL Number:
MFCD08264995
IUPAC Name:
N-cyclohexyl-N-ethyl-3-methylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C13H22N3O.HI/c1-3-16(12-7-5-4-6-8-12)13(17)15-10-9-14(2)11-15;/h9-12H,3-8H2,1-2H3;1H/q+1;/p-1
InChI Key:
KDLIZYLKOWSAAW-UHFFFAOYSA-M
SMILES:
CCN(C(=O)n1cc[n+](c1)C)C1CCCCC1.[I-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.243g/mol
Monoisotopic Mass:
363.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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