| CAS Number | 288627-94-1 |
| Catalog Number | AG002WVX(AGN-PC-0BT6UF) |
| Chemical Name | 1H-Imidazolium, 3-hexyl-1,2-dimethyl-, iodide (1:1) |
| IUPAC Name | 1-hexyl-2,3-dimethylimidazol-3-ium;iodide |
| InChI | InChI=1S/C11H21N2.HI/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;/h9-10H,4-8H2,1-3H3;1H/q+1;/p-1 |
| InChI Key | YYXZQUOJBJOARI-UHFFFAOYSA-M |
| MDL Number | MFCD18207720 |
| Molecular Formula | C11H23IN2 |
| Molecular Weight | 310.2182 |
| SMILES | [I-].CCCCCCN1C=C[NH+](C)C1C |
| Synonyms | 1-Hexyl-2,3-dimethylimidazolium Iodide,
288627-94-1,
1-Hexyl-2,3-dimethyl-1H-imidazol-3-ium iodide,
SCHEMBL580142,
ACMC-209h59,
DTXSID90693708,
ANW-26491,
MFCD18207720,
AKOS015833285,
1,2-dimethyl-3-hexylimidazolium iodide,
TR-036370,
1-hexyl-2,3-dimethylimidazoliumiodide,
H1286,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.207g/mol |
| Monoisotopic Mass | 308.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 8.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319
|
|
Packing Group
|
|
|
Precautionary statements
|
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
|
|
UN Code
|
|
Certificate of Analysis
Lot Number