[2-(5-methoxy-1H-indol-3-yl)ethyl]bis(prop-2-en-1-yl)amine

• ChemBase编号: 67770
• 分子式: C17H22N2O
• 平均质量: 270.36938
• 单一同位素质量: 270.17321333
• SMILES: N(CCc1c[nH]c2ccc(cc12)OC)(CC=C)CC=C
• Canonical SMILES: COc1ccc2c(c1)c(CCN(CC=C)CC=C)c[nH]2
• InChI: InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
• InChIKey: HGRHWEAUHXYNNP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(5-methoxy-1H-indol-3-yl)ethyl]bis(prop-2-en-1-yl)amine
• IUPAC传统名: 5-MeO-DALT
• 别名: N,N-Diallyl-5-methoxytryptamine; 5-Methoxy DALT; 5-Methoxy-N,N-di-2-propen-1-yl-1H-indole-3-ethanamine

登记号

• CAS号: 928822-98-4
• MDL号: MFCD11655942
• PubChem SID: 162033505
• PubChem CID: 50878551

理论计算性质

• Acid pKa: 17.440722
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.48632717
• LogD (pH = 7.4): 2.1418777
• Log P: 3.6068943
• 摩尔折射率: 85.2308 cm^3
• 极化性: 33.845963 Å^3
• 极化表面积: 28.26 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - D416040

It is a tryptamine derivative recently used as a component in ‘bath salts’ that act directly on monoamine receptors (similar to MDMA) to produce its psychoactive effects. This compound is a standard for the forensic analysis of samples that may contain th

参考文献

• Kuipers, W., et al.: J. Med. Chem., 38, 1942 (1995)
• Green, A., et al.: Pharmacol. Rev., 55, 463 (1995)
• Nagai, F., et al.: Eur. J. Pharmacol., 559, 132 (1995)