2-(4-(o-Tolyl)-1-piperazinyl)-9H-purine dimethanesulfonate
[CAS# 37425-16-4]

Identification

• Name: 2-(4-(o-Tolyl)-1-piperazinyl)-9H-purine dimethanesulfonate
• Synonyms: Methanesulfonic Acid; 2-[4-(O-Tolyl)Piperazin-1-Yl]-7H-Purine; Methanesulfonic Acid; 2-[4-(O-Tolyl)-1-Piperazinyl]-7H-Purine; 2-(4-(O-Tolyl)-1-Piperazinyl)-9H-Purine Dimethanesulfonate
• Molecular Formula: C₁₈H₂₆N₆O₆S₂
• Molecular Weight: 486.56
• CAS Registry Number: 37425-16-4
• SMILES: C[S](=O)(=O)O.C[S](=O)(=O)O.C2=C1[NH]C=NC1=NC(=N2)N4CCN(C3=CC=CC=C3C)CC4
• InChI: 1S/C16H18N6.2CH4O3S/c1-12-4-2-3-5-14(12)21-6-8-22(9-7-21)16-17-10-13-15(20-16)19-11-18-13;2*1-5(2,3)4/h2-5,10-11H,6-9H2,1H3,(H,17,18,19,20);2*1H3,(H,2,3,4)
• InChIKey: JKCHQLARZXAPAK-UHFFFAOYSA-N

Properties

• Boiling point: 601.4°C at 760 mmHg (Cal.)
• Flash point: 317.5°C (Cal.)