Butylamine | SBID = 957 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.0 | ||
| 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: | 67.1 | ||
| Sum Formula: | C4H11N | ||
| M / g/mol: | 73.14 | ||
| Complexity: | 13.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags:
- Name: Butylamine
- Preferred Abbreviation: Butylamine
- IUPAC Name: butan-1-amine
- CAS: 109-73-9
- CID: 8007
- InChiKey: HQABUPZFAYXKJW-UHFFFAOYSA-N
- InChi: InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
- CanoSmiles: CCCCN
- IsoSmiles: CCCCN
