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Molecule
Dopamine Hydrochloride
CAS: 62-31-7 · C8H12ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 62-31-7
- Molecular Formula
- C8H12ClNO2
- Molecular Mass
- 189.64 g/mol
Identifiers
CAS Registry Number
62-31-7
SMILES
Cl.NCCc1ccc(O)c(O)c1
InChI Key
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
Names and Synonyms
- Dopamine Hydrochloride Synonym
- 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride (1:1) Synonym
- Pyrocatechol, 4-(2-aminoethyl)-, hydrochloride Synonym
- 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride Synonym
- Dopamine hydrochloride Synonym
- 3-Hydroxytyramine hydrochloride Synonym
- β-(3,4-Dihydroxyphenyl)ethylamine hydrochloride Synonym
- 3,4-Dihydroxyphenethylamine hydrochloride Synonym
- Intropin Synonym
- Dopamine chloride Synonym
- m-Hydroxytyramine hydrochloride Synonym
- P 498 Synonym
- 2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride Synonym
- KW 3160 Synonym
- Inovan Synonym
- Revivan Synonym
- 3,4-Dihydroxy-β-phenethylamine hydrochloride Synonym
- Tensamin Synonym
- Rascordin Synonym
- Dynatra Synonym
- Cardiosteril Synonym
- Inotropin Synonym
- Dopastat Synonym
- ASL 279 Synonym
- Dopamine Fresenius Synonym
- Dopamine Pierre Faba Synonym
- 4-(2-Aminoethyl)-1,2-benzenediol hydrochloride Synonym
- Dopadic Synonym
- Dopmin Synonym
- 2-(3,4-Dihydroxyphenyl)ethanaminium chloride Synonym
- H 8502 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.64 g/mol | CAS Common Chemistry |
| 189.642 g/mol | RDKit | |
| 189.639 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC1=CC=C(C=C1O)CCN | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=CTENFNNZBMHDDG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220 °C (decomp) @ Solvent: Water | CAS Common Chemistry |
| Name | Dopamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.48 Ų | RDKit |
| LogP | 1.0208 | RDKit |
| Molar Refractivity | 49.77800000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 189.055656304 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 189.64 g/mol. Edit any field — others recompute live.
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