2-(3,4-dimethoxyphenyl)ethan-1-amine

• ChemBase编号: 67283
• 分子式: C10H15NO2
• 平均质量: 181.2316
• 单一同位素质量: 181.11027873
• SMILES: NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: NCCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
• InChIKey: ANOUKFYBOAKOIR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,4-dimethoxyphenyl)ethan-1-amine
• IUPAC传统名: dimethoxyphenylethylamine
• 别名: 3,4-二甲氧基苯乙胺; 高藜芦胺; 3,4-二甲氧基苯乙胺; 高藜芦胺; 2-(3,4-dimethoxyphenyl)ethanamine; 3,4-Dimethoxyphenethylamine; 3,4-Dimethoxyphenethylamine; 3,4-DIMETHOXYPHENYLETHYLAMINE; Homoveratrylamine; 2-(3,4-Dimethoxyphenyl)ethylamine; Homoveratrylamine; DIMPEA; DMPE; DMPEA; Dopamine Dimethyl Ether; NSC 16948; NSC 26152; NSC 6328; O,O-Dimethyldopamine; β-(3,4-Dimethoxyphenyl)ethylamine; Homoveratrylamine; 3,4-Dimethoxybenzeneethanamine; 3,4-Dimethoxyphenethylamine; 2-(3,4-Dimethoxyphenyl)-1-aminoethane; 2-(3,4-Dimethoxyphenyl)ethanamine; 3,4-Di-O-methyldopamine; 3,4-Dimethoxy-β-phenylethylamine

登记号

• CAS号: 120-20-7
• EC号: 204-376-9
• MDL号: MFCD00008188
• Beilstein号: 474393
• PubChem SID: 162033019; 24893271
• PubChem CID: 8421
• CHEBI ID: 136995
• CHEMBL: 26019
• Chemspider ID: 8114
• 维基百科标题: 3,4-Dimethoxyphenethylamine

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.9377364
• LogD (pH = 7.4): -1.2355065
• Log P: 1.072333
• 摩尔折射率: 52.2128 cm^3
• 极化性: 20.493984 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: Clear Colourless Oil
• 沸点: 188 °C/15 mmHg(lit.)
• 闪点: 130 °C; 266 °F
• 密度: 1.07 g/ml; 1.074 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.546(lit.); n20/D 1.55

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• 保存注意事项: IRRITANT
• RTECS编号: SH2300000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38
• 安全公开号: 26-36
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥98.0% (GC); 95+%; 97%
• 级别: purum
• 线性分子式: (CH3O)2C6H3CH2CH2NH2

详细说明

MP Biomedicals - 05215066

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150921

Catecholamine involved in schizophrenia.
1 ml = 1.07 g

Sigma Aldrich - D136204

包装
25, 100 g in glass bottle
Application
用于异喹啉合成的前体。1,2,3

Sigma Aldrich - 53660

Other Notes
可能实行销售限制

Toronto Research Chemicals - H669540

A methylated metabolite of Dopamine (D533780); a potent inhibitor of brain mitochondrial respiration used in Parkinson’s disease studies.

参考文献

• Nature , 231 : 22 (1971).
• Gluck, M.R. et al.: J. Neurochem., 91, 788 (2004)
• Charlton, C.G. et al.: Life Sci., 66, 2159 (2004)