4-aminobutan-1-ol | SBID = 2528 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 46.2 | ||
| Ertl TPSA/Å2: | 46.25 | ||
| Hydrophilicity (PubChem XLogP): | -1.1 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | 76.5 | ||
| Sum Formula: | C4H11NO | ||
| M / g/mol: | 89.14 | ||
| Complexity: | 23.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 4-aminobutan-1-ol
- Preferred Abbreviation: 4-Amino-1-butanol
- IUPAC Name: 4-aminobutan-1-ol
- CAS:
- CID: 25868
- InChiKey: BLFRQYKZFKYQLO-UHFFFAOYSA-N
- InChi: InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2
- CanoSmiles: C(CCO)CN
- IsoSmiles: C(CCO)CN
