Propylamine | SBID = 956 | Compound |
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.5 | ||
| 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: | 54.1 | ||
| Sum Formula: | C3H9N | ||
| M / g/mol: | 59.11 | ||
| Complexity: | 7.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: toxic
- Name: Propylamine
- Preferred Abbreviation: Propylamine
- IUPAC Name: propan-1-amine
- CAS: 107-10-8
- CID: 7852
- InChiKey: WGYKZJWCGVVSQN-UHFFFAOYSA-N
- InChi: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
- CanoSmiles: CCCN
- IsoSmiles: CCCN
