benzyl-ethyl-dimethylazanium | SBID = 2657 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | 0.0 | ||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| Hydrophilicity (Cheng XLogP3): | -2.6 | ||
| 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: | 144.6 | ||
| Sum Formula: | C11H18N+ | ||
| M / g/mol: | 164.27 | ||
| Complexity: | 123.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: typical guest
- Name: benzyl-ethyl-dimethylazanium
- Preferred Abbreviation: n-benzyl-n,n-dimethylethanaminium
- IUPAC Name: benzyl-ethyl-dimethylazanium
- CAS:
- CID: 78873
- InChiKey: ODRZUUBZEIXMOS-UHFFFAOYSA-N
- InChi: InChI=1S/C11H18N/c1-4-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3/q+1
- CanoSmiles: CC[N+](C)(C)CC1=CC=CC=C1
- IsoSmiles: CC[N+](C)(C)CC1=CC=CC=C1
