N-[N-(2,6-diethylphenyl)carboximidoyl]-2,6-diethylaniline

• ChemBase编号: 112190
• 分子式: C21H26N2
• 平均质量: 306.44454
• 单一同位素质量: 306.20959884
• SMILES: CCc1cccc(CC)c1N=C=Nc1c(CC)cccc1CC
• Canonical SMILES: CCc1cccc(c1N=C=Nc1c(CC)cccc1CC)CC
• InChI: InChI=1S/C21H26N2/c1-5-16-11-9-12-17(6-2)20(16)22-15-23-21-18(7-3)13-10-14-19(21)8-4/h9-14H,5-8H2,1-4H3
• InChIKey: HKZPXAWSERLSRM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[N-(2,6-diethylphenyl)carboximidoyl]-2,6-diethylaniline
• IUPAC传统名: N-[N-(2,6-diethylphenyl)carboximidoyl]-2,6-diethylaniline
• 别名: bis(2,6-DIETHYLPHENYL)CARBODIIMIDE

登记号

• PubChem SID: 162106626
• PubChem CID: 305889

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 7.87652
• LogD (pH = 7.4): 7.87652
• Log P: 7.87652
• 摩尔折射率: 102.4444 cm^3
• 极化性: 37.34927 Å^3
• 极化表面积: 24.72 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05222857

MP Biomedicals Rare Chemical collection