N-benzylethanaminium | SBID = 2654 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 16.61 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 1.82 | ||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C9H14N+ | ||
| M / g/mol: | 136.21416 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: N-benzylethanaminium
- Preferred Abbreviation: N-benzylethanaminium
- IUPAC Name:
- CAS:
- CID: -1191
- InChiKey: HVAAHUDGWQAAOJ-UHFFFAOYSA-O
- InChi: InChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/p+1
- CanoSmiles: CC[NH2+]Cc1ccccc1
- IsoSmiles: CC[NH2+]CC1=CC=CC=C1
