D/L-Adrenaline | SBID = 1284 | Compound |
Structure
Molecular Properties
| Interactions: | 12 | ||
| PubChem TPSA/Å2: | 72.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 142.7 | ||
| Sum Formula: | C9H13NO3 | ||
| M / g/mol: | 183.2 | ||
| Complexity: | 154.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: neurotransmitter, aromatic, drug, typical guest
- Name: D/L-Adrenaline
- Preferred Abbreviation: D/L-Adrenaline
- IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
- CAS: 329-65-7
- CID: 838
- InChiKey: UCTWMZQNUQWSLP-UHFFFAOYSA-N
- InChi: InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
- CanoSmiles: CNCC(C1=CC(=C(C=C1)O)O)O
- IsoSmiles: CNCC(C1=CC(=C(C=C1)O)O)O
