4-(2-aminoethyl)benzene-1,2-diol hydrochloride

• ChemBase编号: 73064
• 分子式: C8H12ClNO2
• 平均质量: 189.63938
• 单一同位素质量: 189.05565631
• SMILES: c1(c(ccc(c1)CCN)O)O.Cl
• Canonical SMILES: NCCc1ccc(c(c1)O)O.Cl
• 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
• InChIKey: CTENFNNZBMHDDG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(2-aminoethyl)benzene-1,2-diol hydrochloride
• IUPAC传统名: dopamine hydrochloride
• 别名: 2-(3,4-二羟基苯基)乙胺 盐酸盐; 3,4-二羟基苯乙胺 盐酸盐; 4-(2-氨乙基)-1,2-苯二醇 盐酸盐; 羟酪胺 盐酸盐; 多巴胺 盐酸盐; 多巴胺盐酸盐; 乙醇胺盐酸盐 溶液; ASL 279; Cardiosteril; Dopamine Fresenius; Dopamine hydrochloride; Dopamine, 3-Hydroxytyramine hydrochloride; 4-(2-Aminoethyl)-1,2-benzenediol hydrochloride; 2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride; 3,4-DIHYDROXYPHENYL ETHYLAMINE HYDROCHLORIDE; Dopamine hydrochloride; 3,4-Dihydroxyphenethylamine hydrochloride; 3-Hydroxytyramine hydrochloride; 4-(2-aminoethyl)benzene-1,2-diol hydrochloride; Ethanolamine hydrochloride solution

登记号

• CAS号: 2002-24-6; 62-31-7
• EC号: 200-527-8
• MDL号: MFCD00012898
• Beilstein号: 3656720
• 默克索引号: 143421
• PubChem SID: 24277897; 162037984
• PubChem CID: 65340

理论计算性质

• Acid pKa: 10.007776
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -2.2235985
• LogD (pH = 7.4): -1.4458275
• Log P: 0.02955024
• 摩尔折射率: 43.2482 cm^3
• 极化性: 16.667273 Å^3
• 极化表面积: 66.48 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

• 溶解度: alcohol: soluble20 mg/mL; H2O: soluble
• 外观: light tan
• 熔点: ~245 °C (dec.); 243-250°C; 248-250 °C(lit.); 248-250°C

安全信息

• 保存条件: -20°C; 2-8°C, Store Under Nitrogen
• 保存注意事项: Light Sensitive & Hygroscopic
• RTECS编号: UX1092000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-50/53; 36/37/38; R:36/37/38
• 安全公开号: 26-37-60; 61; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-H410; H315-H319-H335-H303
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P273-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 作用靶点: Dopamine receptor

产品相关信息

• 纯度: ≥98.5% (AT); 95+%; 98%; 99%
• 浓度: 60 wt. % in H2O
• 级别: puriss.
• 成盐信息: HCl; hydrochloride
• 燃烧残渣: ≤0.05%
• Pharmacopeia Traceability: traceable to BP 468; traceable to PhEur D2690000; traceable to USP 1225204
• 线性分子式: (HO)2C6H3CH2CH2NH2·HCl
• Empirical Formula (Hill Notation): C2H7NO · HCl
• 分类: Genuine Natural Compounds

详细说明

MP Biomedicals - 02101580

Hydrochloride
Purity: 99%
Crystalline
Precursor of adrenaline.

Selleck Chemicals - S2529

Biological Activity:
Dopamine hydrochloride (Inotropin) is a catecholamine neurotransmitter present in a wide variety of animals,And a dopamine D1-5 receptors agonist. Dopamine hydrochloride (Inotropin) is the immediate precursor of epinephrine in the body. Exogenously administered, dopamine hydrochloride (Inotropin) produces direct stimulation of beta-1 receptors and variable (dose-dependent) stimulation of alpha receptors (peripheral vasoconstriction). Dopamine hydrochloride (Inotropin) is a sympathomimetic amine vasopressor and is the naturally occurring immediate precursor of norepinephrine. [1][2][3]References on Dopamine HCl (Inotropin)[] Neuroscientist, 2008, 14: 381

Sigma Aldrich - H8502

Biochem/physiol Actions
Neurotransmitter.
Caution
Light sensitive
包装
5, 10, 25, 100 g in poly bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. H8502.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

参考文献

• Cools R et al. Neuroscientist. 2008 Aug; 14(4)