ethyl 4-[bis(2-hydroxypropyl)amino]benzoate

• ChemBase编号: 162322
• 分子式: C15H23NO4
• 平均质量: 281.34742
• 单一同位素质量: 281.16270822
• SMILES: c1(ccc(cc1)C(=O)OCC)N(CC(O)C)CC(O)C
• Canonical SMILES: CCOC(=O)c1ccc(cc1)N(CC(O)C)CC(O)C
• InChI: InChI=1S/C15H23NO4/c1-4-20-15(19)13-5-7-14(8-6-13)16(9-11(2)17)10-12(3)18/h5-8,11-12,17-18H,4,9-10H2,1-3H3
• InChIKey: CBZHHQOZZQEZNJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 4-[bis(2-hydroxypropyl)amino]benzoate
• IUPAC传统名: ethyl dihydroxypropyl paba
• 别名: Amerscreen P; Ethyl Dihydroxypropyl PABA; Roxadimate; 4-[Bis(2-hydroxypropyl)amino]benzoic Acid Ethyl Ester, 90%

登记号

• CAS号: 58882-17-0
• PubChem SID: 162256457
• PubChem CID: 42865

理论计算性质

• Acid pKa: 14.972467
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.8945191
• LogD (pH = 7.4): 1.8945206
• Log P: 1.8945206
• 摩尔折射率: 78.6827 cm^3
• 极化性: 30.02902 Å^3
• 极化表面积: 70.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Ether; Ethyl Acetate; Methanol
• 外观: Thick Yellow Oil

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - B447500

A di-substituted resorcinol as skin-lightening agents. Used to reduce skin mutation and DNA damage.

参考文献

• Masse, M., et al.: Int. J. Cosmet. Sci., 4, 235 (1982)