(furan-2-ylmethyl)(thiophen-3-ylmethyl)amine

• ChemBase编号: 312262
• 分子式: C10H11NOS
• 平均质量: 193.26544
• 单一同位素质量: 193.05613498
• SMILES: c1(cscc1)CNCc1occc1
• Canonical SMILES: s1ccc(c1)CNCc1ccco1
• InChI: InChI=1S/C10H11NOS/c1-2-10(12-4-1)7-11-6-9-3-5-13-8-9/h1-5,8,11H,6-7H2
• InChIKey: IPWFINGMDUMRBR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (furan-2-ylmethyl)(thiophen-3-ylmethyl)amine
• IUPAC传统名: (furan-2-ylmethyl)(thiophen-3-ylmethyl)amine
• 别名: (2-furylmethyl)(3-thienylmethyl)amine

登记号

• CAS号: 892593-40-7
• MDL号: MFCD07411629

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.0021338884
• LogD (pH = 7.4): 1.6703566
• Log P: 2.0967565
• 摩尔折射率: 53.4153 cm^3
• 极化性: 20.638756 Å^3
• 极化表面积: 25.17 Å^2