[C3mim]Br | SBID = 2156 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 7.7 | ||
| Ertl TPSA/Å2: | 7.68 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 2.48 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C7H15BrN2 | ||
| M / g/mol: | 207.11 | ||
| Complexity: | 110.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: [C3mim]Br
- Preferred Abbreviation: [C3mim]Br
- IUPAC Name: 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium;bromide
- CAS: 85100-76-1
- CID: 67523553
- InChiKey: LXKJXSIVSWFKQA-UHFFFAOYSA-N
- InChi: InChI=1S/C7H14N2.BrH/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H
- CanoSmiles: CCCN1C[NH+](C=C1)C.[Br-]
- IsoSmiles: CCCN1C[NH+](C=C1)C.[Br-]
