1-methyl-3-octylimidazol-1-ium;bromide | SBID = 2161 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 8.8 | ||
| Ertl TPSA/Å2: | 8.81 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 4.47 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C12H23BrN2 | ||
| M / g/mol: | 275.23 | ||
| Complexity: | 136.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 1-methyl-3-octylimidazol-1-ium;bromide
- Preferred Abbreviation: [C8mim]Br
- IUPAC Name: 1-methyl-3-octylimidazol-1-ium;bromide
- CAS: 61545-99-1
- CID: 10849985
- InChiKey: URVSXZLUUCVGQM-UHFFFAOYSA-M
- InChi: InChI=1S/C12H23N2.BrH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1
- CanoSmiles: CCCCCCCCN1C=C[N+](=C1)C.[Br-]
- IsoSmiles: CCCCCCCCN1C=C[N+](=C1)C.[Br-]
