(2H3)methyl[2-(pyridin-2-yl)ethyl]amine

• ChemBase编号: 161992
• 分子式: C8H12N2
• 平均质量: 136.19428
• 单一同位素质量: 136.10004839
• SMILES: c1cnc(cc1)CCNC
• Canonical SMILES: CNCCc1ccccn1
• InChI: InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3
• InChIKey: UUQMNUMQCIQDMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₃)methyl[2-(pyridin-2-yl)ethyl]amine
• IUPAC传统名: (^2H₃)methyl[2-(pyridin-2-yl)ethyl]amine
• 别名: N-(Methyl-d3)-2-pyridineethanamine Dihydrochloride; 2-[2-(Methyl-d3-amino)ethyl]pyridine Dihydrochloride; [2-(2-Pyridyl)ethyl]methyl-d3-amine; Betahistine-d3 Dihydrochloride(See H456152); N-(Methyl-d3)-2-pyridineethanamine; 2-[β-(Methyl-d3)aminoethyl]pyridine; 2-[2-(Methyl-d3)aminoethyl]pyridine; Betahistine; N-(Methyl-d3)-N-[2-(pyridin-2-yl)ethyl]amine; NSC 42617-d3; Y-G 14-d3; [2-(2-Pyridyl)ethyl](methyl-d3)amine; β-Histine-d3See B324002

登记号

• CAS号: 244094-72-2; 244094-70-0
• PubChem SID: 162256127
• PubChem CID: 45038327

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.5812378
• LogD (pH = 7.4): -1.6845183
• Log P: 0.63240683
• 摩尔折射率: 41.3263 cm^3
• 极化性: 16.420546 Å^3
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: Pale-Yellow Solid

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - B324002

Labelled Betahistine, which is most commonly used to treat the symptoms of Ménière's disease and vertigo. Vasodilator.

Toronto Research Chemicals - H456152

It is used in the treatment of Meniere's disease.

参考文献

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