| CAS Number | 548763-36-6 |
| Catalog Number | AG019QRO(AGN-PC-0OC52O) |
| Chemical Name | 3-Methyl-1-[(2-methylpiperidin-1-yl)carbonyl]-1h-imidazol-3-ium iodide |
| IUPAC Name | (3-methylimidazol-3-ium-1-yl)-(2-methylpiperidin-1-yl)methanone;iodide |
| InChI | InChI=1S/C11H18N3O.HI/c1-10-5-3-4-6-14(10)11(15)13-8-7-12(2)9-13;/h7-10H,3-6H2,1-2H3;1H/q+1;/p-1 |
| InChI Key | OTVVTFKLBDUCRO-UHFFFAOYSA-M |
| MDL Number | MFCD11099759 |
| Molecular Formula | C11H18IN3O |
| Molecular Weight | 335.1846 |
| SMILES | [I-].CC1N(C(N2C=[N+](C)C=C2)=O)CCCC1 |
| Synonyms | 3-methyl-1-(2-methylpiperidine-1-carbonyl)-1H-imidazol-3-ium iodide,
548763-36-6,
3-methyl-1-[(2-methylpiperidin-1-yl)carbonyl]-1H-imidazol-3-ium iodide,
AC1Q1TDB,
SCHEMBL5645325,
CTK5J2108,
OTVVTFKLBDUCRO-UHFFFAOYSA-M,
NE50761,
EN300-88235,
1-methyl-3-(2-methyl-piperidine-1-carbonyl)-3H-imidazol-1-ium iodide,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.189g/mol |
| Monoisotopic Mass | 335.049g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number