methyl(2-phenylpropyl)amine hydrochloride

• ChemBase编号: 13925
• 分子式: C10H16ClN
• 平均质量: 185.69374
• 单一同位素质量: 185.0971272
• SMILES: c1(C(CNC)C)ccccc1.Cl
• Canonical SMILES: CNCC(c1ccccc1)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-9(8-11-2)10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H
• InChIKey: OQHDRLTXPGYYJN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(2-phenylpropyl)amine hydrochloride
• IUPAC传统名: phenpromethamine hydrochloride; methyl(2-phenylpropyl)amine hydrochloride
• 别名: N,β-Dimethylbenzeneethanamine Hydrochloride; N,β-Dimethylphenethylamine Hydrochloride; 1-Methylamino-2-methyl-2-phenylethane Hydrochloride; 1-Methylamino-2-phenylpropane Hydrochloride; Phenpromethamine Hydrochloride; Vonedrine Hydrochloride; dl-N,β-Dimethylphenethylamine Hydrochloride; Phenylpropylmethylamine Hydrochloride; Methyl-(2-phenyl-propyl)-amine hydrochloride

登记号

• CAS号: 5969-39-1
• MDL号: MFCD01708260
• PubChem SID: 160977232
• PubChem CID: 22275

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.0435151
• LogD (pH = 7.4): -0.51739234
• Log P: 2.1852286
• 摩尔折射率: 48.5326 cm^3
• 极化性: 19.210823 Å^3
• 极化表面积: 12.03 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: DMSO; Methanol
• 外观: White Solid
• 熔点: 138-140°C

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: IRRITANT
• TSCA收录: false

详细说明

Toronto Research Chemicals - P336225

A phenethylamine derivative as sympathomimetics. Adrenergic.

参考文献

• Lee, P., et al.: Mol. Pharmacol., 4, 498 (2007)
• Coan, K., et al.: J. Med. Chem., 52, 2067 (2007)