2-(4-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)-9H-purine dimethanesulfonate
[CAS# 37425-18-6]

Identification

• Name: 2-(4-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)-9H-purine dimethanesulfonate
• Synonyms: Methanesulfonic Acid; 2-[4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl]-7H-Purine; 2-(4-(Alpha,Alpha,Alpha-Trifluoro-M-Tolyl)-1-Piperazinyl)-9H-Purine Dimethanesulfonate; 9H-Purine, 2-(4-(Alpha,Lapha,Alpha-Trifluoro-M-Tolyl)-1-Piperazinyl)-, Bis(Methanesulfonate)
• Molecular Formula: C₁₈H₂₃F₃N₆O₆S₂
• Molecular Weight: 540.53
• CAS Registry Number: 37425-18-6
• SMILES: C[S](O)(=O)=O.C[S](O)(=O)=O.C1=C(C=CC=C1N2CCN(CC2)C4=NC=C3[NH]C=NC3=N4)C(F)(F)F
• InChI: 1S/C16H15F3N6.2CH4O3S/c17-16(18,19)11-2-1-3-12(8-11)24-4-6-25(7-5-24)15-20-9-13-14(23-15)22-10-21-13;2*1-5(2,3)4/h1-3,8-10H,4-7H2,(H,20,21,22,23);2*1H3,(H,2,3,4)
• InChIKey: HMEOMVYRWWYLKG-UHFFFAOYSA-N

Properties

• Boiling point: 600.6°C at 760 mmHg (Cal.)
• Flash point: 317°C (Cal.)