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1-methyl-3-propylimidazol-1-ium;bromide | SBID = 2364 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 8.8 | ||
| Ertl TPSA/Å2: | 8.81 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 1.94 | ||
| 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: | C7H13BrN2 | ||
| M / g/mol: | 205.1 | ||
| Complexity: | 83.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 1-methyl-3-propylimidazol-1-ium;bromide
- Preferred Abbreviation: [C3mim]Br
- IUPAC Name: 1-methyl-3-propylimidazol-1-ium;bromide
- CAS:
- CID: 11160028
- InChiKey: AJRFBXAXVLBZMP-UHFFFAOYSA-M
- InChi: InChI=1S/C7H13N2.BrH/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1
- CanoSmiles: CCCN1C=C[N+](=C1)C.[Br-]
- IsoSmiles: CCCN1C=C[N+](=C1)C.[Br-]
