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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
Names and Synonyms:
Dopamine Hydrochloride
1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride (1:1)
Pyrocatechol, 4-(2-aminoethyl)-, hydrochloride
1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride
Dopamine hydrochloride
3-Hydroxytyramine hydrochloride
β-(3,4-Dihydroxyphenyl)ethylamine hydrochloride
3,4-Dihydroxyphenethylamine hydrochloride
Intropin
Dopamine chloride
m-Hydroxytyramine hydrochloride
P 498
2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride
KW 3160
Inovan
Revivan
3,4-Dihydroxy-β-phenethylamine hydrochloride
Tensamin
Rascordin
Dynatra
Cardiosteril
Inotropin
Dopastat
ASL 279
Dopamine Fresenius
Dopamine Pierre Faba
4-(2-Aminoethyl)-1,2-benzenediol hydrochloride
Dopadic
Dopmin
2-(3,4-Dihydroxyphenyl)ethanaminium chloride
H 8502
Identifiers:
SMILES:
Cl.NCCc1ccc(O)c(O)c1
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
Key Properties
Melting Point
220 °C (decomp) @ Solvent: Water
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.64 g/mol | CAS Common Chemistry |
| 189.642 g/mol | RDKit | |
| 189.055656304 g/mol | RDKit | |
| 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 | RDKit |
