1-benzyl-3-methylimidazol-3-ium bromide | SBID = 2360 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 8.8 | ||
| Ertl TPSA/Å2: | 8.81 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 2.71 | ||
| 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: | C11H13BrN2 | ||
| M / g/mol: | 253.14 | ||
| Complexity: | 152.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: 1-benzyl-3-methylimidazol-3-ium bromide
- Preferred Abbreviation: 1-benzyl-3-methylimidazolium bromide
- IUPAC Name: 1-benzyl-3-methylimidazol-3-ium;bromide
- CAS:
- CID: 12392668
- InChiKey: VBLZTUCAWYJIMG-UHFFFAOYSA-M
- InChi: InChI=1S/C11H13N2.BrH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1
- CanoSmiles: C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Br-]
- IsoSmiles: C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Br-]
