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| CAS No.: | 28094-15-7 |
|---|---|
| Name: | 6-HYDROXYDOPAMINE HYDROCHLORIDE |
| Molecular Structure: | |
|
|
|
| Formula: | C8H11 N O3 . Cl H |
| Molecular Weight: | 205.641 |
| Synonyms: | 1,2,4-Benzenetriol,5-(2-aminoethyl)-, hydrochloride (8CI,9CI); 6-Hydroxydopamine chloride; 6-Hydroxydopaminehydrochloride; Oxidopamine hydrochloride |
| EINECS: | 248-837-2 |
| Density: | g/cm3 |
| Melting Point: | 232-233 °C (dec.)(lit.) |
| Boiling Point: | 406 °C at 760 mmHg |
| Flash Point: | 199.3 °C |
| Solubility: | H2O: >50 mg/mL, clear, yellow to brown |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of NOx and HCl. |
| PSA: | 86.71000 |
| LogP: | 1.80690 |
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Chemistry
Molecular Formula: C8H12ClNO3
Molar mass: 205.6388 g/mol
EINECS: 248-837-2
Flash Point: 199.3 °C
Boiling Point: 406 °C at 760 mmHg
Vapour Pressure: 3.58E-07 mmHg at 25°C
Melting point: 232-233 °C (dec.)(lit.)
Water solubility: Soluble
Appearance: Beige solid.
Solubility: H2O: >50 mg/mL, clear, yellow to brown
Form: Powder
Color: Off-white to brown
Structure of 6-Hydroxydopamine hydrochloride (28094-15-7):
H-Bond Donor: 5
H-Bond Acceptor: 4
Systematic Name: 5-(2-Aminoethyl)benzene-1,2,4-triol hydrochloride
SMILES: Cl.Oc1cc(c(O)cc1O)CCN
InChI: InChI=1/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H
InChIKey: QLMRJHFAGVFUAC-UHFFFAOYAO
Std. InChI: InChI=1S/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H
Std. InChIKey: QLMRJHFAGVFUAC-UHFFFAOYSA-N
Safety Profile
Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Hazard Codes: Xi.gif){kind=small}
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
Specification
6-Hydroxydopamine hydrochloride (28094-15-7) also can be called 6-OHDA ; Oxidopamine hydrochloride ; 5-(2-Aminoethyl)benzene-1,2,4-triol hydrochloride ; 1,2,4-Benzenetriol, 5- (2-aminoethyl)-, hydrochloride ;and ; oxidopamine .