Cat No:BMSPEM-0046
Quaternising DABCO with a hexyl chain produces a permanently charged cation with no transferable proton, which is a meaningful difference from the ammonium salts used in most perovskite work. Because it cannot deprotonate, it tends to sit at grain boundaries and surfaces rather than templating the lattice, and researchers use it as a passivating or surface-modifying additive. The rigid bicyclic head group combined with a flexible C6 tail also gives the salt surfactant-like character. It is supplied at a minimum of 98%, ships under standard conditions and is stored in the dark under argon. Contact with skin should be avoided.
| Chemical Formula | C12H25IN2 |
| Molecular Weight | 324.25 g/mol |
| Storage Conditions | Protect from light; room temperature, under argon. |
| Purity | ≥98% |
| Primary Application | Quaternary ammonium iodide additive and surface passivator for halide perovskite films; ionic liquid precursor. |
| EC Number | 878-683-7 |
| English Synonyms | 1-Hexyl-1,4-diazabicyclo[2.2.2]octan-1-ium iodide; 1-hexyl-4-aza-1-azoniabicyclo[2.2.2]octane iodide |
| Molecular Type | Small molecule |
| PubChem CID | 155897203 |
| PubChem SID | 488203100 |
| IUPAC Name | 1-hexyl-4-aza-1-azoniabicyclo[2.2.2]octane;iodide |
| InChI | 1S/C12H25N2.HI/c1-2-3-4-5-9-14-10-6-13(7-11-14)8-12-14;/h2-12H2,1H3;1H/q+1;/p-1 |
| InChI Key | YWXJUXGXGOWSCJ-UHFFFAOYSA-M |
| SMILES | CCCCCC[N+]12CCN(CC1)CC2.[I-] |
| Isomeric SMILES | CCCCCC[N+]12CCN(CC1)CC2.[I-] |
| Reaxys RN | 11413637 |
| Hazard Statements | H315: Causes skin irritation. |
| Shipping Conditions | Standard transport. |
| Available Package Sizes | 1 g, 5 g |
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