5-(2-aminoethyl)benzene-1,2,4-triol hydrobromide

• ChemBase ID: 102930
• Molecular Formular: C8H12BrNO3
• Molecular Mass: 250.08978
• Monoisotopic Mass: 249.00005525
• SMILES: Br.NCCc1c(O)cc(O)c(O)c1
• Canonical SMILES: NCCc1cc(O)c(cc1O)O.Br
• InChI: InChI=1S/C8H11NO3.BrH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H
• InChIKey: MLACDGUOKDOLGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-aminoethyl)benzene-1,2,4-triol hydrobromide
• IUPAC Traditional name: hydroxydopamine hydrobromide
• Synonyms: 6-Hydroxydopamine hydrobromide; 2,4,5-Trihydroxyphenethylamine hydrobromide; 2,5-Dihydroxytyramine hydrobromide; 2-(2,4,5-Trihydroxyphenyl)ethylamine hydrobromide; 6-OHDA; 6-HYDROXYDOPAMINE HYDROBROMIDE; 6-OH-DA; 5-(2-Aminoethyl)-1,2,4-benzenetriol; 6-Hydroxydopamine hydrogen bromide; 6-HYDROXYDOPAMINE HYDROBROMIDE WITH ASCORBIC ACID

Database IDs

• CAS Number: 636-00-0
• EC Number: 211-247-0
• MDL Number: MFCD00012894
• Beilstein Number: 3713280
• PubChem SID: 162089356; 24895826; 24895432
• PubChem CID: 176170

CALCULATED PROPERTIES

• Acid pKa: 9.851313
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.499224
• LogD (pH = 7.4): -1.4791086
• Log P: -0.1539932
• Molar Refractivity: 45.2291 cm^3
• Polarizability: 17.294378 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: light brown; tan to brown solid
• Melting Point: 211-212°C (dec.); 216-220 °C; 216-220 °C(lit.); 217-219°C

Safety Information

• Storage Condition: 0°C; 0°C, Desiccate
• RTECS: DC4600000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ~99%; ≥90% (HPLC); ≥95.0% (HPLC/AT); ≥98% (HPLC); 95%
• Grade: purum
• Contains: ascorbic acid as stabilizer
• Linear Formula: (HO)3C6H2CH2CH2NH2 · HBr

DETAILS

MP Biomedicals - 02105657

Hydrobromide
Crystalline
Purity: ~99%
Useful pharmacological tool.
Selectively destroys adrenergic receptor sites.

MP Biomedicals - 02153689

With Ascorbic Acid

Sigma Aldrich - H116

Biochem/physiol Actions
Neurotoxin that destroys catecholaminergic terminals.
General description
Convenient, stabilized preparation of the dopaminergic neurotoxin, 6-hydroxydopamine.
Solutions should be freshly prepared and protected from exposure to light.
Reconstitution
The addition of 2 mL of buffer per 5 mg vial provides a solution containing 10 mM 6-hydroxydopamine and 0.01% (w/v) ascorbic acid.

Sigma Aldrich - H8523

Biochem/physiol Actions
Neurotoxin that destroys catecholaminergic terminals.
Caution
Hygroscopic, light sensitive
Reconstitution
Dissolve in oxygen-free water containing 0.1% sodium metabisulfite or other antioxidants.
General description
Solutions should be freshly prepared and protected from exposure to light.

Sigma Aldrich - 162957

Biochem/physiol Actions
Neurotoxin that destroys catecholaminergic terminals.
Packaging
1, 5 g in glass bottle
50, 250 mg in glass bottle
General description
Solutions should be freshly prepared and protected from exposure to light.

Sigma Aldrich - 55238

Biochem/physiol Actions
Neurotoxin that destroys catecholaminergic terminals.
General description
Solutions should be freshly prepared and protected from exposure to light.