1-(1-Adamantyl)pyridinium bromide | SBID = 302 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 3.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| 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: | C15H20BrN | ||
| M / g/mol: | 294.236 | ||
| Complexity: | 236.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 1-(1-Adamantyl)pyridinium bromide
- Preferred Abbreviation: 1-Adamantylpyridinium bromide
- IUPAC Name: 1-(1-adamantyl)pyridin-1-ium;bromide
- CAS: 19984-57-7
- CID: 13287148
- InChiKey: AXXUSTFZAJVTMK-UHFFFAOYSA-M
- InChi: InChI=1S/C15H20N.BrH/c1-2-4-16(5-3-1)15-9-12-6-13(10-15)8-14(7-12)11-15;/h1-5,12-14H,6-11H2;1H/q+1;/p-1
- CanoSmiles: C1C2CC3CC1CC(C2)(C3)[N+]4=CC=CC=C4.[Br-]
- IsoSmiles: C1C2CC3CC1CC(C2)(C3)[N+]4=CC=CC=C4.[Br-]
