benzylazanium | SBID = 2517 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 27.6 | ||
| Ertl TPSA/Å2: | 62.64 | ||
| Hydrophilicity (PubChem XLogP): | 1.1 | ||
| Hydrophilicity (Cheng XLogP3): | 1.09 | ||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| 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: | 93.4 | ||
| Sum Formula: | C7H10N+ | ||
| M / g/mol: | 108.16 | ||
| Complexity: | 55.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: benzylazanium
- Preferred Abbreviation: phenylmethanaminium
- IUPAC Name: benzylazanium
- CAS:
- CID: 4996382
- InChiKey: WGQKYBSKWIADBV-UHFFFAOYSA-O
- InChi: InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/p+1
- CanoSmiles: C1=CC=C(C=C1)C[NH3+]
- IsoSmiles: C1=CC=C(C=C1)C[NH3+]
