N-ethyl-N-(2,4,6-tri-tert-butylphenyl)formamide

• ChemBase编号: 80292
• 分子式: C21H35NO
• 平均质量: 317.5087
• 单一同位素质量: 317.27186475
• SMILES: N(c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C=O)CC
• Canonical SMILES: CCN(c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C=O
• InChI: InChI=1S/C21H35NO/c1-11-22(14-23)18-16(20(5,6)7)12-15(19(2,3)4)13-17(18)21(8,9)10/h12-14H,11H2,1-10H3
• InChIKey: CEVSNDWOTXZWCU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-(2,4,6-tri-tert-butylphenyl)formamide
• IUPAC传统名: N-ethyl-N-(2,4,6-tri-tert-butylphenyl)formamide
• 别名: N-ethyl-N-[2,4,6-tri(tert-butyl)phenyl]formamide

登记号

• MDL号: MFCD00266218
• PubChem SID: 162067412
• PubChem CID: 1556923

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.0183005
• LogD (pH = 7.4): 6.0183005
• Log P: 6.0183005
• 摩尔折射率: 100.2927 cm^3
• 极化性: 38.951813 Å^3
• 极化表面积: 20.31 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false