| CAS Number | 380608-79-7 |
| Catalog Number | AG019QRS(AGN-PC-0RFEEW) |
| Chemical Name | 1-[benzyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide |
| IUPAC Name | N-benzyl-N,3-dimethylimidazol-3-ium-1-carboxamide;iodide |
| InChI | InChI=1S/C13H16N3O.HI/c1-14-8-9-16(11-14)13(17)15(2)10-12-6-4-3-5-7-12;/h3-9,11H,10H2,1-2H3;1H/q+1;/p-1 |
| InChI Key | RUQFSBQDGQNXPR-UHFFFAOYSA-M |
| MDL Number | MFCD11099763 |
| Molecular Formula | C13H16IN3O |
| Molecular Weight | 357.1901 |
| SMILES | [I-].CN(C(N1C=[N+](C)C=C1)=O)CC1=CC=CC=C1 |
| Synonyms | 1-[benzyl(methyl)carbamoyl]-3-methyl-1H-imidazol-3-ium iodide,
380608-79-7,
1-{[benzyl(methyl)amino]carbonyl}-3-methyl-1H-imidazol-3-ium iodide,
AC1Q1TEL,
SCHEMBL5649034,
CTK5J2103,
RUQFSBQDGQNXPR-UHFFFAOYSA-M,
NE48717,
EN300-88239,
3-(benzyl-methyl-carbamoyl)-1-methyl-3H-imidazol-1-ium iodide,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.195g/mol |
| Monoisotopic Mass | 357.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number