4-{[(5,7-Diacetamidopyrido[3,4-b]Pyrazin-3-Yl)Methyl](Methyl)Amino}Benzoic Acid
[CAS# 31065-88-0]

Identification

• Name: 4-{[(5,7-Diacetamidopyrido[3,4-b]Pyrazin-3-Yl)Methyl](Methyl)Amino}Benzoic Acid
• Synonyms: 4-[{[5,7-BIS(ACETYLAMINO)PYRIDO[3,4-B]PYRAZIN-3-YL]METHYL}(METHYL)AMINO]BENZOIC ACID; NSC138446
• Molecular Formula: C₂₀H₂₀N₆O₄
• Molecular Weight: 408.41
• CAS Registry Number: 31065-88-0
• SMILES: O=C(O)c1ccc(cc1)N(C)Cc2nc3c(nc2)cc(nc3NC(=O)C)NC(=O)C
• InChI: 1S/C20H20N6O4/c1-11(27)22-17-8-16-18(19(25-17)23-12(2)28)24-14(9-21-16)10-26(3)15-6-4-13(5-7-15)20(29)30/h4-9H,10H2,1-3H3,(H,29,30)(H2,22,23,25,27,28)
• InChIKey: SPHDTCRDTLFSTB-UHFFFAOYSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 796.836°C at 760 mmHg (Cal.)
• Flash point: 435.711°C (Cal.)