2,2',2'',2'''-[(4,8-Dipiperidinopyrimido[5,4-d]Pyrimidine-2,6-Diyl)Dinitrilo]Tetraethanol Bis(Toluene-p-Sulphonate)
[CAS# 49845-74-1]

Identification

• Name: 2,2',2'',2'''-[(4,8-Dipiperidinopyrimido[5,4-d]Pyrimidine-2,6-Diyl)Dinitrilo]Tetraethanol Bis(Toluene-p-Sulphonate)
• Synonyms: 2-[[2-(Bis(2-Hydroxyethyl)Amino)-4,8-Bis(1-Piperidyl)Pyrimido[6,5-E]Pyrimidin-6-Yl]-(2-Hydroxyethyl)Amino]Ethanol; 4-Methylbenzenesulfonic Acid; 4-Methylbenzenesulfonic Acid; 2-[[2-(Bis(2-Hydroxyethyl)Amino)-4,8-Bis(1-Piperidyl)-6-Pyrimido[6,5-E]Pyrimidinyl]-(2-Hydroxyethyl)Amino]Ethanol; 4-Methylbenzenesulfonic Acid; 4-Methylbenzenesulfonic Acid
• Molecular Formula: C₃₈H₅₆N₈O₁₀S₂
• Molecular Weight: 849.03
• CAS Registry Number: 49845-74-1
• EINECS: 256-501-1
• SMILES: C1=C([S](=O)(=O)O)C=CC(=C1)C.C2=C([S](=O)(=O)O)C=CC(=C2)C.C(N(C4=NC3=C(N=C(N=C3C(=N4)N5CCCCC5)N(CCO)CCO)N6CCCCC6)CCO)CO
• InChI: 1S/C24H40N8O4.2C7H8O3S/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h33-36H,1-18H2;2*2-5H,1H3,(H,8,9,10)
• InChIKey: YFHSNCOUDBQMCI-UHFFFAOYSA-N

Properties

• Boiling point: 806.5°C at 760 mmHg (Cal.)
• Flash point: 441.5°C (Cal.)