Dopamine hydrochloride | SBID = 1162 | Compound |
Structure
Molecular Properties
| Interactions: | 24 | ||
| PubChem TPSA/Å2: | 66.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| 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: | |||
| Sum Formula: | C8H12ClNO2 | ||
| M / g/mol: | 189.64 | ||
| Complexity: | 119.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Dopamine hydrochloride
- Preferred Abbreviation: Dopamine hydrochloride
- IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol;hydrochloride
- CAS: 62-31-7
- CID: 65340
- InChiKey: CTENFNNZBMHDDG-UHFFFAOYSA-N
- InChi: InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
- CanoSmiles: C1=CC(=C(C=C1CCN)O)O.Cl
- IsoSmiles: C1=CC(=C(C=C1CCN)O)O.Cl
