methyl[(1-methyl-1H-indol-5-yl)methyl]amine

• ChemBase编号: 92490
• 分子式: C11H14N2
• 平均质量: 174.24226
• 单一同位素质量: 174.11569846
• SMILES: n1(c2c(cc(cc2)CNC)cc1)C
• Canonical SMILES: CNCc1ccc2c(c1)ccn2C
• InChI: InChI=1S/C11H14N2/c1-12-8-9-3-4-11-10(7-9)5-6-13(11)2/h3-7,12H,8H2,1-2H3
• InChIKey: SPRYNBKTIVXUOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(1-methyl-1H-indol-5-yl)methyl]amine
• IUPAC传统名: methyl[(1-methylindol-5-yl)methyl]amine
• 别名: N-methyl-N-[(1-methyl-1H-indol-5-yl)methyl]amine; N-Methyl-(1-methyl-1H-indol-5-yl)methylamine; N-Methyl-N-[(1-methyl-1H-indol-5-yl)methyl]amine; 1-Methyl-5-[(methylamino)methyl]-1H-indole

登记号

• CAS号: 709649-73-0
• MDL号: MFCD08271909
• PubChem SID: 162079188
• PubChem CID: 18525753

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.344305
• LogD (pH = 7.4): -0.41645026
• Log P: 1.8540328
• 摩尔折射率: 55.2892 cm^3
• 极化性: 22.612314 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/Keep Cold/Store under Argon

产品相关信息

• 纯度: 90%