4-((4-(2-Pyrimidinyl)-1-Piperazinyl)Methyl)Pyrocatechol Hydrochloride Hydrate (2:4:1)
[CAS# 50602-50-1]

Identification

• Name: 4-((4-(2-Pyrimidinyl)-1-Piperazinyl)Methyl)Pyrocatechol Hydrochloride Hydrate (2:4:1)
• Synonyms: 4-[[4-(2-Pyrimidinyl)-1-Piperazinyl]Methyl]Benzene-1,2-Diol Dihydrochloride; 4-[[4-(2-Pyrimidyl)Piperazin-1-Yl]Methyl]Pyrocatechol Dihydrochloride; 4-((4-(2-Pyrimidinyl)-1-Piperazinyl)Methyl)Pyrocatechol Hydrochloride Hydrate (2:4:1)
• Molecular Formula: C₁₅H₂₀Cl₂N₄O₂
• Molecular Weight: 359.25
• CAS Registry Number: 50602-50-1
• SMILES: [H+].[H+].C(N1CCN(CC1)C2=NC=CC=N2)C3=CC(=C(O)C=C3)O.[Cl-].[Cl-]
• InChI: 1S/C15H18N4O2.2ClH/c20-13-3-2-12(10-14(13)21)11-18-6-8-19(9-7-18)15-16-4-1-5-17-15;;/h1-5,10,20-21H,6-9,11H2;2*1H
• InChIKey: TYWXEMFLSLAZSN-UHFFFAOYSA-N

Properties

• Boiling point: 517.2°C at 760 mmHg (Cal.)
• Flash point: 266.6°C (Cal.)