[1-(4-methoxyphenyl)propan-2-yl](2H3)methylamine

• ChemBase编号: 173983
• 分子式: C11H17NO
• 平均质量: 179.25878
• 单一同位素质量: 179.13101417
• SMILES: c1c(ccc(c1)CC(C)NC)OC
• Canonical SMILES: CNC(Cc1ccc(cc1)OC)C
• InChI: InChI=1S/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3
• InChIKey: UGFMBZYKVQSQFX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(4-methoxyphenyl)propan-2-yl](^2H₃)methylamine
• IUPAC传统名: [1-(4-methoxyphenyl)propan-2-yl](^2H₃)methylamine
• 别名: 4-Methoxy-N-methylamphetamine-d3; p-Methoxymethamphetamine-d3; rac N-Methyl-d3-p-methoxyamphetamine

登记号

• PubChem SID: 164229893
• PubChem CID: 71750092

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.1479639
• LogD (pH = 7.4): -0.5867756
• Log P: 2.0791595
• 摩尔折射率: 54.943 cm^3
• 极化性: 21.681543 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Pale Yellow Oil

详细说明

Toronto Research Chemicals - M321897

An antinociception. Evokes stereotypic behavior related to dopaminergic activation. Illegal psychedelic drug, that can cause intoxication and fatalities in ingested.

参考文献

• Rohanova, M. et al.: Toxicology 259, 61 (2009)
• Bustamante, D. et al.: Pharmacol. Biochem. Be. 79, 199 (2004)