{[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}dimethylamine

• ChemBase编号: 164251
• 分子式: C16H15Cl2N3
• 平均质量: 320.2164
• 单一同位素质量: 319.06430286
• SMILES: c1cc(cn2c1nc(c2CN(C)C)c1ccc(cc1)Cl)Cl
• Canonical SMILES: CN(Cc1c(nc2n1cc(Cl)cc2)c1ccc(cc1)Cl)C
• InChI: InChI=1S/C16H15Cl2N3/c1-20(2)10-14-16(11-3-5-12(17)6-4-11)19-15-8-7-13(18)9-21(14)15/h3-9H,10H2,1-2H3
• InChIKey: OCVHNRLYRKDDFL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}dimethylamine
• IUPAC传统名: {[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}dimethylamine
• 别名: 6-Chloro-2-(4-chlorophenyl)-3-(N,N-dimethylaminomethylene)imidazo[1,2-a]pyridine; 6-Chloro-2-(4-chlorophenyl)-N,N-dimethylimidazo[1,2-a]pyridine-3-methanamine

登记号

• CAS号: 365213-33-8
• PubChem SID: 162258386
• PubChem CID: 3839615

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.68989587
• LogD (pH = 7.4): 2.4210522
• Log P: 3.8621123
• 摩尔折射率: 88.7304 cm^3
• 极化性: 35.0201 Å^3
• 极化表面积: 20.54 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; Dichloromethane; Methanol
• 外观: White Solid

详细说明

Toronto Research Chemicals - C365580

An intermediate for the synthesis of Alpidem.