4,4,6,6-tetramethyl-1H,4H,6H-furo[3,4-d]imidazole

• ChemBase编号: 309779
• 分子式: C9H14N2O
• 平均质量: 166.22026
• 单一同位素质量: 166.11061308
• SMILES: c12c(C(OC1(C)C)(C)C)[nH]cn2
• Canonical SMILES: CC1(C)OC(c2c1[nH]cn2)(C)C
• InChI: InChI=1S/C9H14N2O/c1-8(2)6-7(11-5-10-6)9(3,4)12-8/h5H,1-4H3,(H,10,11)
• InChIKey: CHXXVLVJHAJNQZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,6,6-tetramethyl-1H,4H,6H-furo[3,4-d]imidazole
• IUPAC传统名: 4,4,6,6-tetramethyl-1H-furo[3,4-d]imidazole
• 别名: 4,4,6,6-tetramethyl-4,6-dihydro-1H-furo[3,4-d]imidazole

登记号

• MDL号: MFCD19982754

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.9799049
• LogD (pH = 7.4): 1.1784799
• Log P: 1.1819347
• 摩尔折射率: 46.754 cm^3
• 极化性: 18.145168 Å^3
• 极化表面积: 37.91 Å^2