1-(4-Methylphenyl)-3-Azabicyclo[3.1.0]Hexane Hydrochloride (1:1)
[CAS# 66504-75-4]

Identification

• Name: 1-(4-Methylphenyl)-3-Azabicyclo[3.1.0]Hexane Hydrochloride (1:1)
• Synonyms: 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, (+-)-
• Molecular Formula: C₁₂H₁₆ClN
• Molecular Weight: 209.72
• CAS Registry Number: 66504-75-4
• SMILES: [H+].C3=C(C12C(C1)CNC2)C=CC(=C3)C.[Cl-]
• 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
• InChIKey: OTZOPAFTLUOBOM-UHFFFAOYSA-N

Properties

• solubility: Soluble to 100 mM in water and to 100 mM in DMSO

References

• (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.