3-[6-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-1-Yl]Purin-9-Yl]Propane-1,2-Diol Dihydrochloride
[CAS# 37425-30-2]

Identification

• Name: 3-[6-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-1-Yl]Purin-9-Yl]Propane-1,2-Diol Dihydrochloride
• Synonyms: 3-[6-[4-(1,3-Benzodioxol-5-Ylmethyl)-1-Piperazinyl]-9-Purinyl]Propane-1,2-Diol Dihydrochloride; 9H-Purine, 9-(2,3-Dihydroxypropyl)-6-(4-Piperonyl-1-Piperazinyl)-, Dihydrochloride; (Piperonyl-4 Piperazinyl-1)-6 (Dihydroxy-2,3 Propyl)-9 Purine Dichlorhydrate [French]
• Molecular Formula: C₂₀H₂₆Cl₂N₆O₄
• Molecular Weight: 485.37
• CAS Registry Number: 37425-30-2
• SMILES: [H+].[H+].C(N1CCN(CC1)C2=NC=NC3=C2N=C[N]3CC(O)CO)C5=CC4=C(OCO4)C=C5.[Cl-].[Cl-]
• InChI: 1S/C20H24N6O4.2ClH/c27-10-15(28)9-26-12-23-18-19(21-11-22-20(18)26)25-5-3-24(4-6-25)8-14-1-2-16-17(7-14)30-13-29-16;;/h1-2,7,11-12,15,27-28H,3-6,8-10,13H2;2*1H
• InChIKey: FVKYDHHVLMOVIB-UHFFFAOYSA-N

Properties

• Boiling point: 679.8°C at 760 mmHg (Cal.)
• Flash point: 364.9°C (Cal.)