1-butyl-3-methylimidazol-3-ium chloride | SBID = 2157 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 8.8 | ||
| Ertl TPSA/Å2: | 8.81 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 2.13 | ||
| 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: | C8H15ClN2 | ||
| M / g/mol: | 174.67 | ||
| Complexity: | 93.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 1-butyl-3-methylimidazol-3-ium chloride
- Preferred Abbreviation: [C4mim]Cl
- IUPAC Name: 1-butyl-3-methylimidazol-3-ium;chloride
- CAS:
- CID: 2734161
- InChiKey: FHDQNOXQSTVAIC-UHFFFAOYSA-M
- InChi: InChI=1S/C8H15N2.ClH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1
- CanoSmiles: CCCCN1C=C[N+](=C1)C.[Cl-]
- IsoSmiles: CCCCN1C=C[N+](=C1)C.[Cl-]
