Phenyltrimethylammonium | SBID = 1620 | Compound |
Structure
Molecular Properties
| Interactions: | 10 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| 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: | 119.6 | ||
| Sum Formula: | C9H14N+ | ||
| M / g/mol: | 136.21 | ||
| Complexity: | 95.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: Phenyltrimethylammonium
- Preferred Abbreviation: Phenyltrimethylammonium
- IUPAC Name: trimethyl(phenyl)azanium
- CAS: 3426-74-2
- CID: 15914
- InChiKey: ZNEOHLHCKGUAEB-UHFFFAOYSA-N
- InChi: InChI=1S/C9H14N/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
- CanoSmiles: C[N+](C)(C)C1=CC=CC=C1
- IsoSmiles: C[N+](C)(C)C1=CC=CC=C1
