1-(4-甲基苯基)-3-氮杂双环[3.1.0]己烷盐酸盐 (1:1)
[CAS# 66504-75-4]

基本信息

• 产品名称: 1-(4-甲基苯基)-3-氮杂双环[3.1.0]己烷盐酸盐 (1:1)
• 英文名: 1-(4-Methylphenyl)-3-Azabicyclo[3.1.0]Hexane Hydrochloride (1:1)
• 别名: 1-(P-Tolyl)-3-Azabicyclo[3.1.0]Hexane Hydrochloride; (+-)-1-P-Tolyl-3-Azabicyclo(3.1.0)Hexane Hydrochloride; 3-Azabicyclo(3.1.0)Hexane, 1-(4-Methylphenyl)-, Hydrochloride, (+-)-
• 分子式: C₁₂H₁₆ClN
• 分子量: 209.72
• CAS 登录号: 66504-75-4
• 分子行输入简码 SMILES: [H+].C3=C(C12C(C1)CNC2)C=CC(=C3)C.[Cl-]
• 国际化学标识码 InChI: 1S/C12H15N.ClH/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12;/h2-5,11,13H,6-8H2,1H3;1H
• 国际化学标识检索码 InChIKey: OTZOPAFTLUOBOM-UHFFFAOYSA-N

物理化学性质

• 溶解度: Soluble to 100 mM in water and to 100 mM in DMSO

参考文献

• (1): Patrick McArdle, Karen Gilligan, Desmond Cunningham, Rex Dark and Mary Mahon. A method for the prediction of the crystal structure of ionic organic compounds—the crystal structures of o-toluidinium chloride and bromide and polymorphism of bicifadine hydrochloride, CrystEngComm, 2004, 6, 303.