6-aminohexanoic acid | SBID = 1626 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -3.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 108.3 | ||
| Sum Formula: | C6H13NO2 | ||
| M / g/mol: | 131.17 | ||
| Complexity: | 83.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 6-aminohexanoic acid
- Preferred Abbreviation: 6-amino hexanoic acid
- IUPAC Name: 6-aminohexanoic acid
- CAS: 60-32-2
- CID: 564
- InChiKey: SLXKOJJOQWFEFD-UHFFFAOYSA-N
- InChi: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
- CanoSmiles: C(CCC(=O)O)CCN
- IsoSmiles: C(CCC(=O)O)CCN
