1,5-Pyrimidino-6,9-Purinophane
[CAS# 103022-52-2]

Identification

• Name: 1,5-Pyrimidino-6,9-Purinophane
• Synonyms: Pmpp
• Molecular Formula: C₁₆H₁₈N₆O₂S
• Molecular Weight: 358.42
• CAS Registry Number: 103022-52-2
• SMILES: S4C2=C1N=C[N](C1=NC=N2)CCCN3C(=O)N(C(=O)C(=C3)CCC4)C
• InChI: 1S/C16H18N6O2S/c1-20-15(23)11-4-2-7-25-14-12-13(17-9-18-14)22(10-19-12)6-3-5-21(8-11)16(20)24/h8-10H,2-7H2,1H3
• InChIKey: SJWPTBFNZAZFSH-UHFFFAOYSA-N

Properties

• Density: 1.553g/cm³ (Cal.)
• Boiling point: 604.144°C at 760 mmHg (Cal.)
• Flash point: 319.175°C (Cal.)