ethyl[1-(4-methoxyphenyl)propan-2-yl]amine hydrochloride

• ChemBase编号: 168221
• 分子式: C12H20ClNO
• 平均质量: 229.7463
• 单一同位素质量: 229.12334195
• SMILES: c1cc(ccc1CC(NCC)C)OC.Cl
• Canonical SMILES: CCNC(Cc1ccc(cc1)OC)C.Cl
• InChI: InChI=1S/C12H19NO.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H
• InChIKey: KWQLOEWGKCQLPR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl[1-(4-methoxyphenyl)propan-2-yl]amine hydrochloride
• IUPAC传统名: para-methoxyethylamphetamine hydrochloride
• 别名: N-Ethyl-4-methoxy-α-methylbenzeneethanamine Hydrochloride; (±)-N-Ethyl-p-methoxyamphetamine Hydrochloride; 2-Ethylamino-1-(4'-methoxyphenyl)propane Hydrochloride; N-Ethyl-p-methoxy-α-methylphenethylamine Hydrochloride; N-Ethyl-4-methoxy Amphetamine Hydrochloride; ethyl[1-(4-methoxyphenyl)propan-2-yl]amine hydrochloride

登记号

• CAS号: 93963-24-7
• MDL号: MFCD00060152
• PubChem SID: 162262353
• PubChem CID: 198672

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.79366475
• LogD (pH = 7.4): -0.2881138
• Log P: 2.4359674
• 摩尔折射率: 59.6916 cm^3
• 极化性: 23.52782 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 162 - 164°C
• 疏水性(logP): 2.336

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - E679550

An analogue of the CNS stimulant Amphetamine (A634248) with increased analgesic effects.Controlled Substance.

参考文献

• Bustamante, D. et al.: Pharmacol. Biochem. Behav., 79, 199 (2004)
• Zaitsu, K. et al.: Forens. Sci. Int., 177, 77 (2004)