Benzyltrimethylammonium | SBID = 361 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 132.9 | ||
| Sum Formula: | C10H16N+ | ||
| M / g/mol: | 150.245 | ||
| Complexity: | 107.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: Benzyltrimethylammonium
- Preferred Abbreviation: Benzyltrimethylammonium
- IUPAC Name: benzyl(trimethyl)azanium
- CAS: 14800-24-9
- CID: 5964
- InChiKey: YOUGRGFIHBUKRS-UHFFFAOYSA-N
- InChi: InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1
- CanoSmiles: C[N+](C)(C)CC1=CC=CC=C1
- IsoSmiles: C[N+](C)(C)CC1=CC=CC=C1
