1-Octylammonium | SBID = 686 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H20N+ | ||
| M / g/mol: | 130.2511 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: cation, typical guest, charged
- Name: 1-Octylammonium
- Preferred Abbreviation: 1-Octylammonium
- IUPAC Name: octan-1-aminium
- CAS: 111-86-4
- CID: -189
- InChiKey: IOQPZZOEVPZRBK-UHFFFAOYSA-O
- InChi: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3/p+1
- CanoSmiles: CCCCCCCC[NH3+]
- IsoSmiles: [NH3+]CCCCCCCC
