7-ethyl-1H-indole

• ChemBase编号: 89522
• 分子式: C10H11N
• 平均质量: 145.20104
• 单一同位素质量: 145.08914936
• SMILES: [nH]1c2c(cccc2cc1)CC
• Canonical SMILES: CCc1cccc2c1[nH]cc2
• InChI: InChI=1S/C10H11N/c1-2-8-4-3-5-9-6-7-11-10(8)9/h3-7,11H,2H2,1H3
• InChIKey: PIIZLMYXLGYWTN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-ethyl-1H-indole
• IUPAC传统名: 7-ethyl-1H-indole
• 别名: 7-乙基吲哚; 7-Ethylindole; 7-Ethylindole; 7-Ethyl-1H-indole

登记号

• CAS号: 22867-74-9
• EC号: 000-000-0
• MDL号: MFCD00143514
• Beilstein号: 1238356
• PubChem SID: 162076402; 24869755
• PubChem CID: 2724711

理论计算性质

• Acid pKa: 16.728086
• 质子受体: 0
• 质子供体: 1
• LogD (pH = 5.5): 3.0299978
• LogD (pH = 7.4): 3.0299978
• Log P: 3.0299978
• 摩尔折射率: 46.7867 cm^3
• 极化性: 19.270645 Å^3
• 极化表面积: 15.79 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 230°C
• 闪点: 109 °C; 228.2 °F
• 密度: 1.058; 1.058 g/mL at 20 °C(lit.)
• 折射率: 1.6030; n20/D 1.603

安全信息

• 德国WGK号: 3
• TSCA收录: 否
• 个人保护装置: Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); 98%; 98+%
• 杂质: ≤0.5% water
• Empirical Formula (Hill Notation): C10H11N

详细说明

Sigma Aldrich - 46086

Caution
储存时可能变成深黄色
包装
10 mL in glass bottle
Application

• Reactant for preparation of (indo-3-yl) heterocyclic derivatives as agonists of the CB1 receptor1
• Reactant for preparation of fluorescent 5H-benzo[b]carbazol-6-yl ketones2
• Reactant for preparation of benzoylpiperazinyl-indolyl ethane dione derivatives as HIV-1 inhibitors3
• Reactant for preparation of bis(indolyl)alkanehydroxamic acids as histone deacetylase inhibitors4
• Reactant for parallel synthesis of indolylquinones as insulin-like compounds5
• Reactant for preparation of bis(1H-indol-2-yl)methanones as inhibitors of FLT3 and platelet-derived growth factor receptor tyrosine kinase6