3-Acetyl-1-(4-morpholinylmethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one ethanedioate (1:1)
[CAS# 85930-05-8]

Identification

• Name: 3-Acetyl-1-(4-morpholinylmethyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one ethanedioate (1:1)
• Synonyms: 1-Morpholinomethyl-3-acetyl-2-oxoimidazo(4,5-b)pyridine oxalate; 2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-3-acetyl-1-(4-morpholinylmethyl)-, ethanedioate (1:1)
• Molecular Formula: C₁₅H₁₈N₄O₇
• Molecular Weight: 366.33
• CAS Registry Number: 85930-05-8
• SMILES: O=C(O)C(=O)O.O=C(N2C(=O)N(c1cccnc12)CN3CCOCC3)C
• InChI: 1S/C13H16N4O3.C2H2O4/c1-10(18)17-12-11(3-2-4-14-12)16(13(17)19)9-15-5-7-20-8-6-15;3-1(4)2(5)6/h2-4H,5-9H2,1H3;(H,3,4)(H,5,6)
• InChIKey: LEILJUUGGJIXMM-UHFFFAOYSA-N

Properties

• Boiling point: 445.4°C at 760 mmHg (Cal.)
• Flash point: 223.2°C (Cal.)