1,3,7,9-Tetrabutyl-5-Oxidopyrimido[5,6-g]Pteridin-5-Ium-2,4,6,8-Tetrone
[CAS# 33070-58-5]

Identification

• Name: 1,3,7,9-Tetrabutyl-5-Oxidopyrimido[5,6-g]Pteridin-5-Ium-2,4,6,8-Tetrone
• Synonyms: 1,3,7,9-Tetrabutyl-5-Oxido-Pyrimido[5,6-G]Pteridin-5-Ium-2,4,6,8-Tetrone; 1,3,7,9-Tetrabutyl-5-Oxido-Pyrimido[5,6-G]Pteridin-5-Ium-2,4,6,8-Diquinone; Ppo-54G5
• Molecular Formula: C₂₄H₃₆N₆O₅
• Molecular Weight: 488.59
• CAS Registry Number: 33070-58-5
• SMILES: C(N3C2=NC1=C(C(N(C(N1CCCC)=O)CCCC)=O)[N+](=C2C(N(C3=O)CCCC)=O)[O-])CCC
• InChI: 1S/C24H36N6O5/c1-5-9-13-26-19-17(21(31)28(23(26)33)15-11-7-3)30(35)18-20(25-19)27(14-10-6-2)24(34)29(22(18)32)16-12-8-4/h5-16H2,1-4H3
• InChIKey: MTWAUWYOWWKLNY-UHFFFAOYSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 710.12°C at 760 mmHg (Cal.)
• Flash point: 383.267°C (Cal.)