2-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-1-Yl]Pyrimidin-4-Amine
[CAS# 3601-76-1]

Identification

• Name: 2-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-1-Yl]Pyrimidin-4-Amine
• Synonyms: 2-[4-(1,3-Benzodioxol-5-Ylmethyl)-1-Piperazinyl]-4-Pyrimidinamine; [2-[4-(1,3-Benzodioxol-5-Ylmethyl)Piperazin-1-Yl]Pyrimidin-4-Yl]Amine; Brn 0764709
• Molecular Formula: C₁₆H₁₉N₅O₂
• Molecular Weight: 313.36
• CAS Registry Number: 3601-76-1
• SMILES: C1=CN=C(N=C1N)N2CCN(CC2)CC3=CC=C4C(=C3)OCO4
• InChI: 1S/C16H19N5O2/c17-15-3-4-18-16(19-15)21-7-5-20(6-8-21)10-12-1-2-13-14(9-12)23-11-22-13/h1-4,9H,5-8,10-11H2,(H2,17,18,19)
• InChIKey: SXDWVNDEEDUJOF-UHFFFAOYSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 531.345°C at 760 mmHg (Cal.)
• Flash point: 275.148°C (Cal.)