1-heptyl-3-methylimidazol-3-ium bromide | SBID = 2367 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 8.8 | ||
| Ertl TPSA/Å2: | 8.81 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 3.92 | ||
| 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: | C11H21BrN2 | ||
| M / g/mol: | 261.2 | ||
| Complexity: | 125.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 1-heptyl-3-methylimidazol-3-ium bromide
- Preferred Abbreviation: [C7mim]Br
- IUPAC Name: 1-heptyl-3-methylimidazol-3-ium;bromide
- CAS:
- CID: 10730104
- InChiKey: PVAXJJIKMMIZAX-UHFFFAOYSA-M
- InChi: InChI=1S/C11H21N2.BrH/c1-3-4-5-6-7-8-13-10-9-12(2)11-13;/h9-11H,3-8H2,1-2H3;1H/q+1;/p-1
- CanoSmiles: CCCCCCCN1C=C[N+](=C1)C.[Br-]
- IsoSmiles: CCCCCCCN1C=C[N+](=C1)C.[Br-]
