(1S,4S)-2-(5-Pyrimidinyl)-2,5-Diazabicyclo[2.2.1]Heptane
[CAS# 286943-13-3]

Identification

• Name: (1S,4S)-2-(5-Pyrimidinyl)-2,5-Diazabicyclo[2.2.1]Heptane
• Synonyms: (1S,4S)-2-(pyrimidin-5-yl)-2,5-diazabicyclo[2.2.1]heptane
• Molecular Formula: C₉H₁₂N₄
• Molecular Weight: 176.22
• CAS Registry Number: 286943-13-3
• SMILES: n1cc(cnc1)N3[C@H]2C[C@H](NC2)C3
• InChI: 1S/C9H12N4/c1-7-5-13(8(1)4-12-7)9-2-10-6-11-3-9/h2-3,6-8,12H,1,4-5H2/t7-,8-/m0/s1
• InChIKey: XWJMSESMIIBXEB-YUMQZZPRSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 350.604°C at 760 mmHg (Cal.)
• Flash point: 165.84°C (Cal.)
• Refractive index: 1.596 (Cal.)