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

• ChemBase编号: 138195
• 分子式: C8H12ClNO3
• 平均质量: 205.63878
• 单一同位素质量: 205.05057093
• SMILES: c1c(c(cc(c1O)O)O)CCN.Cl
• Canonical SMILES: NCCc1cc(O)c(cc1O)O.Cl
• 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
• InChIKey: QLMRJHFAGVFUAC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(2-aminoethyl)benzene-1,2,4-triol hydrochloride
• IUPAC传统名: hydroxydopamine hydrochloride
• 别名: 5-(2-Aminoethyl)-1,2,4-benzenetriol Hydrochloride; 6-Hydroxydopamine Hydrochloride; Oxidopamine Hydrochloride; Topamine Hydrochloride; 6-Hydroxy Dopamine Hydrochloride; 2,4,5-Trihydroxyphenethylamine hydrochloride; 2,5-Dihydroxytyramine hydrochloride; 2-(2,4,5-Trihydroxyphenyl)ethylamine hydrochloride; 6-OHDA; 6-Hydroxydopamine hydrochloride

登记号

• CAS号: 28094-15-7
• EC号: 248-837-2
• MDL号: MFCD00012895
• Beilstein号: 4274007
• PubChem SID: 162232453
• PubChem CID: 160157

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

• 熔点: 232-233 °C (dec.)(lit.); 232-234 °C

安全信息

• RTECS编号: DC4650000
• 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

产品相关信息

• 纯度: ≥97.0% (AT); 98%
• 级别: purum
• 线性分子式: (HO)3C6H2CH2CH2NH2 · HCl

详细说明

Sigma Aldrich - 149802

Biochem/physiol Actions
Neurotoxin that destroys catecholaminergic terminals.
Reconstitution
Solutions should be freshly prepared and protected from exposure to light. Solutions turn red as it oxidizes.

Sigma Aldrich - 55241

Biochem/physiol Actions
Neurotoxin that destroys catecholaminergic terminals.
Reconstitution
Solutions should be freshly prepared and protected from exposure to light. Solutions turn red as it oxidizes.

Toronto Research Chemicals - H941730

6-Hydroxydopamine is a selective catecholaminergic neurotoxin. Studies show that 6-Hydroxydopamine can be used to create an animal model of Parkinson's disease as it causes almost complete destruction of nigral dopaminergic neurons and their striatal term

参考文献

• Soto-Otero, R. et al.: J. Neurochem., 74, 1605 (2000)
• Fujita, H. et al.: Brain Res., 1113, 10 (2000)
• Breese, G.R. et al.: 174, 313 (2000)