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Home > Imidazoles > 98790-50-2
98790-50-2 | 1-(dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium iodide
CAS No: 98790-50-2 Catalog No: AG019QRJ MDL No:MFCD11099753
Product Description
Catalog Number:
AG019QRJ
Chemical Name:
1-(dimethylcarbamoyl)-3-methyl-1H-imidazol-3-ium iodide
CAS Number:
98790-50-2
Molecular Formula:
C7H12IN3O
Molecular Weight:
281.0942
MDL Number:
MFCD11099753
IUPAC Name:
N,N,3-trimethylimidazol-3-ium-1-carboxamide;iodide
InChI:
InChI=1S/C7H12N3O.HI/c1-8(2)7(11)10-5-4-9(3)6-10;/h4-6H,1-3H3;1H/q+1;/p-1
InChI Key:
XCABRDCWTZHNNU-UHFFFAOYSA-M
SMILES:
C[n+]1ccn(c1)C(=O)N(C)C.[I-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.097g/mol
Monoisotopic Mass:
281.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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