N-{6-[bis(4-methoxyphenyl)(phenyl)methoxy]hexyl}-2,2,2-trifluoroacetamide

• ChemBase编号: 162363
• 分子式: C29H32F3NO4
• 平均质量: 515.5638896
• 单一同位素质量: 515.22834317
• SMILES: O(CCCCCCNC(=O)C(F)(F)F)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OCCCCCCNC(=O)C(F)(F)F
• InChI: InChI=1S/C29H32F3NO4/c1-35-25-16-12-23(13-17-25)28(22-10-6-5-7-11-22,24-14-18-26(36-2)19-15-24)37-21-9-4-3-8-20-33-27(34)29(30,31)32/h5-7,10-19H,3-4,8-9,20-21H2,1-2H3,(H,33,34)
• InChIKey: LQCWHEZJZDDJHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{6-[bis(4-methoxyphenyl)(phenyl)methoxy]hexyl}-2,2,2-trifluoroacetamide
• IUPAC传统名: N-{6-[bis(4-methoxyphenyl)(phenyl)methoxy]hexyl}-2,2,2-trifluoroacetamide
• 别名: N-[6-[Bis(4-methoxyphenyl)phenylmethoxy]hexyl]-2,2,2-trifluoro-acetamide

登记号

• CAS号: 178261-42-2
• PubChem SID: 162256498
• PubChem CID: 71314095

理论计算性质

• Acid pKa: 6.4872413
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 6.5493155
• LogD (pH = 7.4): 5.9101653
• Log P: 6.5868134
• 摩尔折射率: 138.1049 cm^3
• 极化性: 52.141083 Å^3
• 极化表面积: 56.79 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Brown Oil

详细说明

Toronto Research Chemicals - B490080

Used in the preparation of solid support reagents useful in the synthesis of polynucleotides.