1-chloro-2,2,6,6-tetramethylpiperidin-4-yl 2-methylprop-2-enoate

• ChemBase编号: 164666
• 分子式: C13H22ClNO2
• 平均质量: 259.77228
• 单一同位素质量: 259.13390663
• SMILES: C1C(CC(N(C1(C)C)Cl)(C)C)OC(=O)C(=C)C
• Canonical SMILES: ClN1C(C)(C)CC(CC1(C)C)OC(=O)C(=C)C
• InChI: InChI=1S/C13H22ClNO2/c1-9(2)11(16)17-10-7-12(3,4)15(14)13(5,6)8-10/h10H,1,7-8H2,2-6H3
• InChIKey: HEVKFRBDENHXII-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloro-2,2,6,6-tetramethylpiperidin-4-yl 2-methylprop-2-enoate
• IUPAC传统名: 1-chloro-2,2,6,6-tetramethylpiperidin-4-yl 2-methylprop-2-enoate
• 别名: 1-Chloro-2,2,6,6-tetramethyl-4-piperidinyl 2-Propenoic Acid 2-Methyl Ester; N-Chloro-2,2,6,6-tetramethyl-4-piperidyl Methacrylate

登记号

• CAS号: 1126272-77-2
• PubChem SID: 162258801
• PubChem CID: 53432206

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.729321
• LogD (pH = 7.4): 2.729335
• Log P: 2.7293353
• 摩尔折射率: 70.0243 cm^3
• 极化性: 27.813097 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Light Yellow Liquid

安全信息

• 保存条件: Amber Vial, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - C410500

A new N-halamine monomer was synthesized and used to prepare water-based polymeric N-halamines by emulsion polymn. Also, the compound was tested for antibacterial activity against Candida albicans, Staphylococcus aureus, and Escherichia coli.

参考文献

• Kohl, H., et al.: J. Pharm. Sci., 69, 1292 (1980)
• Greenberger, P., et al.: Clin. Allergy Immunol., 16, 449 (1980)
• Gant, V., et al.: J. Antimicrob. Chemother., 60, 294 (1980)
• Pestka, J., et al.: Toxicol. Sci., 104, 4 (1980)