4-Phenylbutylamine | SBID = 204 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 130.8 | ||
| Sum Formula: | C10H15N | ||
| M / g/mol: | 149.237 | ||
| Complexity: | 84.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 4-Phenylbutylamine
- Preferred Abbreviation: 4-Phenylbutylamine
- IUPAC Name: 4-phenylbutan-1-amine
- CAS: 13214-66-9
- CID: 83242
- InChiKey: AGNFWIZBEATIAK-UHFFFAOYSA-N
- InChi: InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
- CanoSmiles: C1=CC=C(C=C1)CCCCN
- IsoSmiles: C1=CC=C(C=C1)CCCCN
