methyl[(1-methyl-1H-indol-7-yl)methyl]amine

• ChemBase编号: 87372
• 分子式: C11H14N2
• 平均质量: 174.24226
• 单一同位素质量: 174.11569846
• SMILES: n1(ccc2c1c(ccc2)CNC)C
• Canonical SMILES: CNCc1cccc2c1n(C)cc2
• InChI: InChI=1S/C11H14N2/c1-12-8-10-5-3-4-9-6-7-13(2)11(9)10/h3-7,12H,8H2,1-2H3
• InChIKey: JERMRTDADLXHSD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(1-methyl-1H-indol-7-yl)methyl]amine
• IUPAC传统名: methyl[(1-methylindol-7-yl)methyl]amine
• 别名: N-Methyl-1-(1-methyl-1H-indol-7-yl)methylamine; 1-Methyl-7-[(methylamino)methyl]-1H-indole 90%; N-methyl-(1-methyl-1H-indol-7-yl)methylamine

登记号

• CAS号: 709649-75-2
• MDL号: MFCD11506353
• PubChem SID: 162074475
• PubChem CID: 33589520

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.3497156
• LogD (pH = 7.4): -0.4695524
• Log P: 1.8540328
• 摩尔折射率: 55.2892 cm^3
• 极化性: 22.613459 Å^3
• 极化表面积: 16.96 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive/Harmful/Light Sensitive/Store under Argon/Keep Cold

产品相关信息

• 纯度: 90%