4-(2-aminoethyl)phenol

• ChemBase编号: 69897
• 分子式: C8H11NO
• 平均质量: 137.17904
• 单一同位素质量: 137.08406398
• SMILES: NCCc1ccc(O)cc1
• Canonical SMILES: NCCc1ccc(cc1)O
• InChI: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
• InChIKey: DZGWFCGJZKJUFP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(2-aminoethyl)phenol
• IUPAC传统名: tyramine
• 别名: 2-(4-羟基苯基)乙胺; 4-(2-氨乙基)苯酚; 4-羟基苯乙胺; 酪胺; 4-Hydroxyphenethylamine; 2-(4-Hydroxyphenyl)ethylamine; 4-(2-Aminoethyl)phenol Hydrochloride; 2-(4'-Hydroxyphenyl)ethylamine; 2-(p-Hydroxyphenyl)ethylamine; 4-Hydroxy-β-phenylethylamine; 4-Hydroxyphenylethylamine; 4-Hydroxybenzeneethanamine; NSC 249188; Systogene; Tocosine; Tyramin; Tyramine; Tyrosamine; Uteramine; p-(2-Aminoethyl)phenol; p-Hydroxy-β-phenylethylamine; p-Hydroxyphenylethylamine; p-Tyramine; p-β-Aminoethylphenol; .alpha.-(4-Hydroxyphenyl)-β-aminoethane; β-(4-Hydroxyphenyl)ethylamine; p-Tyramine; Tyramine; 4-(2-Aminoethyl)phenol; TYRAMINE FREE BASE; 4-(2-aminoethyl)phenol; Tyramine; Tyloxapol

登记号

• CAS号: 25301-02-4; 51-67-2
• EC号: 200-115-8
• MDL号: MFCD00002368; MFCD00008193
• Beilstein号: 1099914
• PubChem SID: 24900582; 162035622
• PubChem CID: 5610
• CHEBI ID: 15760
• CHEMBL: 11608
• Chemspider ID: 5408
• FEMA编号: 4215
• KEGG ID: C00483
• 医学主题词(MeSH): Tyramine
• 美国药典/FDA物质标识码: X8ZC7V0OX3
• 维基百科标题: Tyramine
• Flavis Number: 11.007

理论计算性质

• Acid pKa: 10.410818
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.9262791
• LogD (pH = 7.4): -1.2292765
• Log P: 0.6797132
• 摩尔折射率: 41.2673 cm^3
• 极化性: 16.070105 Å^3
• 极化表面积: 46.25 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: 1 g in 95 mL at 15°C in water; DMSO; Methanol; Water
• 外观: colorless solid; Yellow Solid
• 熔点: 149-151°C; 160-162 °C(lit.); 164-165 °C; 164-165°C
• 沸点: 175-181 °C/8 mmHg(lit.); 205-207; 166; 205-207°C at 25 mm Hg; 166°C at 2 mm Hg
• 密度: 1.20 g/cm ^3
• pKa: 9.74 (OH); 10.52 (NH₃^+)

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere; Room Temperature (15-30°C)
• 保存注意事项: IRRITANT
• RTECS编号: SJ5950000
• 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
• TSCA收录: false
• 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

药理学性质

• 相关基因信息: rat ... Drd2(24318)

产品相关信息

• 纯度: 95+%; 98%; 99%
• 级别: NI
• 线性分子式: HOC6H4CH2CH2NH2

详细说明

MP Biomedicals - 02103172

Free Base
Useful reagent in a fluorescence enzyme immunoassay for insulin.

Sigma Aldrich - T90344

Biochem/physiol Actions
可以进入儿茶酚胺能末端并作为伪递质释放。1
包装
5, 25 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. T90344.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - W421501

Biochem/physiol Actions
可以进入儿茶酚胺能末端并作为伪递质释放。1
包装
1 kg in poly bottle
1 sample in glass bottle
25, 100 g in poly bottle

Toronto Research Chemicals - T898500

Adrenergic.

参考文献

• Matsuoko, K., et al., Chem. Pharm. Bull. , 27 : 2345, (1979).
• Brandacher, G., et al.: Curr. Drug Metab., 8, 289 (2007)
• Oresic, M., et al.: J. Exp. Med., 205, 2975 (2007)