1-(1H-indol-3-yl)propan-2-amine

• ChemBase编号: 1252
• 分子式: C11H14N2
• 平均质量: 174.24226
• 单一同位素质量: 174.11569846
• SMILES: [nH]1c2c(c(CC(N)C)c1)cccc2
• Canonical SMILES: CC(Cc1c[nH]c2c1cccc2)N
• InChI: InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
• InChIKey: QSQQQURBVYWZKJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1H-indol-3-yl)propan-2-amine
• IUPAC传统名: α-methyltryptamine; 1-(1H-indol-3-yl)propan-2-amine
• 别名: Alpha-methyltryptamine; 3-(2-AMINOPROPYL)INDOLE; (±)-α-Methyltryptamine Hydrochloride; 164 E; 2-(1H-Indol-3-yl)-1-methylethylamine Hydrochloride; 3-(2-Aminopropyl)-1H-indole Hydrochloride; 3-(2-Aminopropyl)indole Hydrochloride; NSC 97069 Hydrochloride; Ro 3-0926; U 14 Hydrochloride; Indopan Hydrochloride; α-Methyl-3-indoleethanamine Hydrochloride; α-Methyl-1H-indole-3-ethanamine Hydrochloride; α-Methyltryptamine Hydrochloride; Alpha-methyltryptamine

登记号

• CAS号: 299-26-3; 879-36-7
• PubChem SID: 160964712; 46507024
• PubChem CID: 9287

理论计算性质

JChem

• Acid pKa: 17.137882
• 质子受体: 1
• 质子供体: 2
• LogD (pH = 5.5): -1.1141208
• LogD (pH = 7.4): -0.53133327
• Log P: 1.9030125
• 摩尔折射率: 54.7917 cm^3
• 极化性: 22.619116 Å^3
• 极化表面积: 41.81 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 2.0
• LOG S: -2.18
• 溶解度: 1.15e+00 g/l

分子性质

理化性质

• 溶解度: Methanol
• 外观: Light Beige Solid
• 熔点: 213-215°C

安全信息

• 保存条件: Refrigerator

药理学性质

• 生物活性机理: 5-HT2A receptor agonist; Monoamine oxidase inhibitor and a stimulant; Sympathomimetic

产品相关信息

• 纯度: 98%
• 应用领域: Psychostimulant; Psychotonic

详细说明

DrugBank - DB01446

• Drug Groups: illicit; experimental
• External Links: Wikipedia

Toronto Research Chemicals - M331925

α-Methyltryptamine is a methylated Tryptamine with psychedelic, stimulant and entactogenic properties. α-Methyltryptamine is a non-selective serotonin receptor agonist. α-Methyltryptamine acts as relatively balanced releasing agent of serotonin, norepinep

参考文献

• Nagain, F. et al.: Eur. J. Pharmacol., 559, 132 (2007)
• Nonaka, R. et al.: Biol. Pharmac. Bull., 30, 2328 (2007)