Phenylephrine | SBID = 318 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 52.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 135.0 | ||
| Sum Formula: | C9H13NO2 | ||
| M / g/mol: | 167.208 | ||
| Complexity: | 130.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Phenylephrine
- Preferred Abbreviation: Phenylephrine
- IUPAC Name: 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
- CAS: 59-42-7
- CID: 6041
- InChiKey: SONNWYBIRXJNDC-VIFPVBQESA-N
- InChi: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
- CanoSmiles: CNCC(C1=CC(=CC=C1)O)O
- IsoSmiles: CNC[C@@H](C1=CC(=CC=C1)O)O
