2-amino-2-phenylethanol | SBID = 2681 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 46.2 | ||
| Ertl TPSA/Å2: | 46.25 | ||
| Hydrophilicity (PubChem XLogP): | 0.1 | ||
| Hydrophilicity (Cheng XLogP3): | 0.13 | ||
| 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: | 113.3 | ||
| Sum Formula: | C8H11NO | ||
| M / g/mol: | 137.18 | ||
| Complexity: | 89.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags:
- Name: 2-amino-2-phenylethanol
- Preferred Abbreviation: 2-Amino-2-phenylethanol
- IUPAC Name: 2-amino-2-phenylethanol
- CAS:
- CID: 92466
- InChiKey: IJXJGQCXFSSHNL-UHFFFAOYSA-N
- InChi: InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
- CanoSmiles: C1=CC=C(C=C1)C(CO)N
- IsoSmiles: C1=CC=C(C=C1)C(CO)N
