1-methyl-3-pentylimidazol-1-ium bromide | SBID = 2366 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 8.8 | ||
| Ertl TPSA/Å2: | 8.81 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 2.84 | ||
| 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: | C9H17BrN2 | ||
| M / g/mol: | 233.15 | ||
| Complexity: | 104.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 1-methyl-3-pentylimidazol-1-ium bromide
- Preferred Abbreviation: [C5mim]Br
- IUPAC Name: 1-methyl-3-pentylimidazol-1-ium;bromide
- CAS:
- CID: 10537569
- InChiKey: PXFKRXXEFJDOMO-UHFFFAOYSA-M
- InChi: InChI=1S/C9H17N2.BrH/c1-3-4-5-6-11-8-7-10(2)9-11;/h7-9H,3-6H2,1-2H3;1H/q+1;/p-1
- CanoSmiles: CCCCCN1C=C[N+](=C1)C.[Br-]
- IsoSmiles: CCCCCN1C=C[N+](=C1)C.[Br-]
