2-aminobutan-1-ol | SBID = 2672 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 46.2 | ||
| Ertl TPSA/Å2: | 46.25 | ||
| Hydrophilicity (PubChem XLogP): | -0.4 | ||
| Hydrophilicity (Cheng XLogP3): | -0.44 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 76.0 | ||
| Sum Formula: | C4H11NO | ||
| M / g/mol: | 89.14 | ||
| Complexity: | 30.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 2-aminobutan-1-ol
- Preferred Abbreviation: 2-Aminobutan-1-ol
- IUPAC Name: 2-aminobutan-1-ol
- CAS:
- CID: 22129
- InChiKey: JCBPETKZIGVZRE-UHFFFAOYSA-N
- InChi: InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
- CanoSmiles: CCC(CO)N
- IsoSmiles: CCC(CO)N
