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

• ChemBase编号: 178473
• 分子式: C13H23NO2
• 平均质量: 225.32722
• 单一同位素质量: 225.17287898
• SMILES: C1C(CC(NC1(C)C)(C)C)OC(=O)C(=C)C
• Canonical SMILES: CC(=C)C(=O)OC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C13H23NO2/c1-9(2)11(15)16-10-7-12(3,4)14-13(5,6)8-10/h10,14H,1,7-8H2,2-6H3
• InChIKey: UFLXKQBCEYNCDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,6,6-tetramethylpiperidin-4-yl 2-methylprop-2-enoate
• IUPAC传统名: 2,2,6,6-tetramethylpiperidin-4-yl 2-methylprop-2-enoate
• 别名: 2-Methyl-2-propenoic Acid 2,2,6,6-Tetramethyl-4-piperidinyl Ester; Methacrylic Acid 2,2,6,6-Tetramethyl-4-piperidyl Ester; 2,2,6,6-Tetramethyl-4-piperidinyl 2-methyl-2-propenoate; 4-(Methacryloyloxy)-2,2,6,6-tetramethylpiperidine; ADK Stab LA 87; Fancryl FA 712HM; Mark LA 87; 2,2,6,6-Tetramethyl-4-piperidyl Methacrylate

登记号

• CAS号: 31582-45-3
• PubChem SID: 164234383
• PubChem CID: 9815965

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.8864651
• LogD (pH = 7.4): -0.4482576
• Log P: 2.3457868
• 摩尔折射率: 64.688 cm^3
• 极化性: 25.994251 Å^3
• 极化表面积: 38.33 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: DMSO; Methanol
• 外观: White Waxy Solid
• 熔点: 59-61°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - T304640

It is used as cholesterol-lowering agent.

参考文献

• Bauer, D., et al.: Polym Deg. Stab., 48, 259 (1995)
• Nakahara, K., et al.: Chem. Physics Lett., 359, 351 (1995)