1-[2,5-bis(2H3)methoxy-4-methylphenyl]propan-2-amine hydrochloride

• ChemBase编号: 167495
• 分子式: C12H20ClNO2
• 平均质量: 245.7457
• 单一同位素质量: 245.11825657
• SMILES: c1c(c(cc(c1OC)CC(N)C)OC)C.Cl
• Canonical SMILES: COc1cc(C)c(cc1CC(N)C)OC.Cl
• InChI: InChI=1S/C12H19NO2.ClH/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3;/h5,7,9H,6,13H2,1-4H3;1H
• InChIKey: IPIMRNFGYPQKAM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2,5-bis(^2H₃)methoxy-4-methylphenyl]propan-2-amine hydrochloride
• IUPAC传统名: 1-[2,5-bis(^2H₃)methoxy-4-methylphenyl]propan-2-amine hydrochloride
• 别名: (+/-)-1-(4-Methyl-2,5-(dimethoxy-d6)phenyl)-2-aminopropane Hydrochloride; 2,5-(Dimethoxy-d6)methylamphetamine; dl-2,5-(Dimethoxy-d6)-4-methyl-amphetamine Hydrochloride; (+/-)-DOM-d6; STP-d6 Hydrochloride; 2',5'-(Dimethoxy-d6)-4'-methylamphetamine Hydrochloride; 2,5-Dimethoxy-4-methylamphetamine-d6 Hydrochloride

登记号

• PubChem SID: 162261628
• PubChem CID: 23635595

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.0139972
• LogD (pH = 7.4): -0.41565815
• Log P: 2.0023293
• 摩尔折射率: 61.6728 cm^3
• 极化性: 24.104195 Å^3
• 极化表面积: 44.48 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; Methanol
• 外观: White Solid
• 熔点: 186-188°C

安全信息

• 保存条件: Controlled Substance, -20°C Freezer

详细说明

Toronto Research Chemicals - D446592

Labelled 2,5-Dimethoxy-4-methylamphetamine (DOM, STP) is one of the potent hallucinogenic phenylalkylamines with neurotoxic properties.

参考文献

• Monte, A., et al.: J. Med. Chem., 39, 2953 (1996)
• Pedersen, W., et al.: Addiction, 94, 1695 (1996)
• Kanamori, T., et al.: J. Anal. Toxicol., 26, 61 (1996)