N-[3-(dimethylamino)propyl]tetradecanamide

• ChemBase编号: 159640
• 分子式: C19H40N2O
• 平均质量: 312.5337
• 单一同位素质量: 312.31406391
• SMILES: N(CCCNC(=O)CCCCCCCCCCCCC)(C)C
• Canonical SMILES: CCCCCCCCCCCCCC(=O)NCCCN(C)C
• InChI: InChI=1S/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3/h4-18H2,1-3H3,(H,20,22)
• InChIKey: IFYDWYVPVAMGRO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(dimethylamino)propyl]tetradecanamide
• IUPAC传统名: N-[3-(dimethylamino)propyl]tetradecanamide
• 别名: N-[3-(Dimethylamino)propyl]tetradecanamide; Dimethylaminopropyl Myristamide; Lexamine M 13; Myristamidopropyl Dimethylamine; N-[3-(Dimethylamino)propyl]myristamide; Schercodine M; Aldox

登记号

• CAS号: 45267-19-4
• PubChem SID: 162253775
• PubChem CID: 170759

理论计算性质

• Acid pKa: 16.432419
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.5389293
• LogD (pH = 7.4): 2.9701295
• Log P: 4.862783
• 摩尔折射率: 97.485 cm^3
• 极化性: 38.486473 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol
• 外观: White Solid
• 熔点: 49-51°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - A521000

Myristamidopropyl dimethylamine (MAPD), present as Aldox in Opti-Free Express Disinfecting Solution for contact lens care, was tested for its potential as a drug in treatment of Acanthamoeba keratitis. MAPD is an amidoamine compound that shows activity a

参考文献

• Stehr-Green, J., et al.: Am. J. Ophthalmol., 107, 331 (1989)
• Schuster, F., et al.: Clin. Microbiol. Rev., 15, 342 (1989)
• Hughes, R., et al.: J. Antimicrob. Chemother., 51, 1415 (1989)