[2-(1H-indol-3-yl)ethyl]bis(propan-2-yl)amine; oxalic acid

• ChemBase编号: 167935
• 分子式: C18H26N2O4
• 平均质量: 334.41004
• 单一同位素质量: 334.18925732
• SMILES: c1ccc2c(c1)[nH]cc2CCN(C(C)C)C(C)C.C(=O)(O)C(=O)O
• Canonical SMILES: CC(N(C(C)C)CCc1c[nH]c2c1cccc2)C.OC(=O)C(=O)O
• InChI: InChI=1S/C16H24N2.C2H2O4/c1-12(2)18(13(3)4)10-9-14-11-17-16-8-6-5-7-15(14)16;3-1(4)2(5)6/h5-8,11-13,17H,9-10H2,1-4H3;(H,3,4)(H,5,6)
• InChIKey: OTBAKMLNZXZOCB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(1H-indol-3-yl)ethyl]bis(propan-2-yl)amine; oxalic acid
• IUPAC传统名: DIPT; oxalic acid
• 别名: N,N-Bis(1-methylethyl)-1H-indole-3-ethanamine Oxalate; 3-[2-(Diisopropylamino)ethyl]indole Oxalate; DiPT Oxalate; N,N-Diisopropyltryptamine Oxalate

登记号

• PubChem SID: 162262068
• PubChem CID: 71316298

理论计算性质

• Acid pKa: 17.164442
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.35716704
• LogD (pH = 7.4): 0.79435694
• Log P: 3.8488317
• 摩尔折射率: 78.777 cm^3
• 极化性: 31.8516 Å^3
• 极化表面积: 19.03 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - D459750

A synthetic Tryptamine (T894600) hallucinogen. It induces substrate behavior via serotonin-uptake transporter and vesicle monoamine-transporter in human platelet. Findings suggests that its effects are primarily aural causing complex audio distorting effe

参考文献

• Cozzi, N.V. et al.: J. Neur. Transmis., 116, 1591 (2009)
• Leonard, B.E. et al.: Neuropharmacol., 11, 373 (2009)