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

• ChemBase编号: 102930
• 分子式: C8H12BrNO3
• 平均质量: 250.08978
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 5-(2-aminoethyl)benzene-1,2,4-triol hydrobromide
• IUPAC传统名: hydroxydopamine hydrobromide
• 别名: 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

登记号

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

理论计算性质

• Acid pKa: 9.851313
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -2.499224
• LogD (pH = 7.4): -1.4791086
• Log P: -0.1539932
• 摩尔折射率: 45.2291 cm^3
• 极化性: 17.294378 Å^3
• 极化表面积: 86.71 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

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

安全信息

• 保存条件: 0°C; 0°C, Desiccate
• RTECS编号: DC4600000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ~99%; ≥90% (HPLC); ≥95.0% (HPLC/AT); ≥98% (HPLC); 95%
• 级别: purum
• 其他组分: ascorbic acid as stabilizer
• 线性分子式: (HO)3C6H2CH2CH2NH2 · HBr

详细说明

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.
包装
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.