1,3-Dimethylimidazolium | SBID = 967 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 8.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 83.2 | ||
| Sum Formula: | C5H9N2+ | ||
| M / g/mol: | 97.14 | ||
| Complexity: | 55.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: 1,3-Dimethylimidazolium
- Preferred Abbreviation: 1,3-Dimethylimidazolium
- IUPAC Name: 1,3-dimethylimidazol-1-ium
- CAS: 45470-32-4
- CID: 20335
- InChiKey: HVVRUQBMAZRKPJ-UHFFFAOYSA-N
- InChi: InChI=1S/C5H9N2/c1-6-3-4-7(2)5-6/h3-5H,1-2H3/q+1
- CanoSmiles: CN1C=C[N+](=C1)C
- IsoSmiles: CN1C=C[N+](=C1)C
