Benzyltriethylammonium | SBID = 362 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.9 | ||
| 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: | 167.6 | ||
| Sum Formula: | C13H22N+ | ||
| M / g/mol: | 192.326 | ||
| Complexity: | 135.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: Benzyltriethylammonium
- Preferred Abbreviation: Benzyltriethylammonium
- IUPAC Name: benzyl(triethyl)azanium
- CAS: 16652-03-2
- CID: 17208
- InChiKey: VBQDSLGFSUGBBE-UHFFFAOYSA-N
- InChi: InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
- CanoSmiles: CC[N+](CC)(CC)CC1=CC=CC=C1
- IsoSmiles: CC[N+](CC)(CC)CC1=CC=CC=C1
