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Home > Imidazoles > 1091604-39-5
1091604-39-5 | 1-[ethyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS No: 1091604-39-5 Catalog No: AG019TFT MDL No:MFCD11623178
Product Description
Catalog Number:
AG019TFT
Chemical Name:
1-[ethyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
1091604-39-5
Molecular Formula:
C8H14IN3O
Molecular Weight:
295.1207
MDL Number:
MFCD11623178
IUPAC Name:
N-ethyl-N,3-dimethylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C8H14N3O.HI/c1-4-10(3)8(12)11-6-5-9(2)7-11;/h5-7H,4H2,1-3H3;1H/q+1;/p-1
InChI Key:
SKPSULAIKIVOJP-UHFFFAOYSA-M
SMILES:
CCN(C(=O)n1cc[n+](c1)C)C.[I-]
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.124g/mol
Monoisotopic Mass:
295.018g/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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