6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

• ChemBase编号: 97190
• 分子式: C10H12FN
• 平均质量: 165.2073832
• 单一同位素质量: 165.09537761
• SMILES: N1C(CCc2c1ccc(c2)F)C
• Canonical SMILES: CC1CCc2c(N1)ccc(c2)F
• InChI: InChI=1S/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3
• InChIKey: BDCCXYVTXRUGAN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
• IUPAC传统名: 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
• 别名: 1,2,3,4-Tetrahydro-6-fluoro-2-methylquinoline; 6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline; 6-Fluoro-1,2,3,4-tetrahydro-2-methylquinoline; 6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline; 6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline 99%; Quinoline, 6-fluoro-1,2,3,4-tetrahydro-2-methyl-

登记号

• CAS号: 42835-89-2
• MDL号: MFCD00040976
• PubChem SID: 162083802
• PubChem CID: 591684

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.3752515
• LogD (pH = 7.4): 2.4881103
• Log P: 2.489758
• 摩尔折射率: 48.7976 cm^3
• 极化性: 17.678467 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Methanol
• 外观: Off-White Solid
• 熔点: 26-28°C; 32-34°C
• 闪点: >110°C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Irritant

产品相关信息

• 纯度: 95+%; 98%

详细说明

Toronto Research Chemicals - F593800

Intermediate in the production of anti-cancer quinoline derivatives and antibacterial agents

参考文献

• Zhao, H., et al.: Bioorg. Med. Chem. Lett., 12, 3105 (2002)