2-(Hexahydro-4-Piperonyl-1H-1,4-Diazepin-1-Yl)Pyrimidine
[CAS# 21280-10-4]

Identification

• Name: 2-(Hexahydro-4-Piperonyl-1H-1,4-Diazepin-1-Yl)Pyrimidine
• Synonyms: 1-(1,3-Benzodioxol-5-Ylmethyl)-4-(2-Pyrimidinyl)-1,4-Diazepane; Brn 3006089; Pyrimidine, 2-(Hexahydro-4-Piperonyl-1H-1,4-Diazepin-1-Yl)-
• Molecular Formula: C₁₇H₂₀N₄O₂
• Molecular Weight: 312.37
• CAS Registry Number: 21280-10-4
• SMILES: C2=C1OCOC1=CC=C2CN4CCN(C3=NC=CC=N3)CCC4
• InChI: 1S/C17H20N4O2/c1-5-18-17(19-6-1)21-8-2-7-20(9-10-21)12-14-3-4-15-16(11-14)23-13-22-15/h1,3-6,11H,2,7-10,12-13H2
• InChIKey: WXCHHZUXZLMYTR-UHFFFAOYSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 481.144°C at 760 mmHg (Cal.)
• Flash point: 244.787°C (Cal.)