(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanol

• ChemBase编号: 178386
• 分子式: C11H15NO
• 平均质量: 177.2429
• 单一同位素质量: 177.11536411
• SMILES: c1c(ccc2c1CCCN2C)CO
• Canonical SMILES: OCc1ccc2c(c1)CCCN2C
• InChI: InChI=1S/C11H15NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7,13H,2-3,6,8H2,1H3
• InChIKey: KWTAHNFGMCBZLB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanol
• IUPAC传统名: (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
• 别名: (1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanol; 6-(Chloromethyl)-1-methyl-1,2,3,4-tetrahydroquinoline; 1,2,3,4-Tetrahydro-1-methyl-6-quinolinemethanol

登记号

• CAS号: 68031-99-2
• MDL号: MFCD13184142
• PubChem SID: 164234296
• PubChem CID: 12417658

理论计算性质

• Acid pKa: 15.170685
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.7126656
• LogD (pH = 7.4): 1.7972053
• Log P: 1.7983971
• 摩尔折射率: 55.2131 cm^3
• 极化性: 20.484737 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.933

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - T293965

A tetrahydroquinolinecarboxaldehyde derivative used in the synthesis of stilbenes.

参考文献

• Roth, B., et al.: J. Med. Chem., 24, 933 (1981)