6,7-Dihydro-1H-pyrido[2,3-b]azepine-5,8-dione
[CAS# 652976-28-8]

Identification

• Name: 6,7-Dihydro-1H-pyrido[2,3-b]azepine-5,8-dione
• Synonyms: (E)-5-HYDROXY-7H-PYRIDO[2,3-B]AZEPIN-8(9H)-ONE
• Molecular Formula: C₉H₈N₂O₂
• Molecular Weight: 176.17
• CAS Registry Number: 652976-28-8
• SMILES: c1cc2c(nc1)NC(=O)CCC2=O
• InChI: 1S/C9H8N2O2/c12-7-3-4-8(13)11-9-6(7)2-1-5-10-9/h1-2,5H,3-4H2,(H,10,11,13)
• InChIKey: MMRNZOSYBOQWME-UHFFFAOYSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 433.806°C at 760 mmHg (Cal.)
• Flash point: 216.158°C (Cal.)
• Refractive index: 1.571 (Cal.)

References

• (1): X.-D. Gu, F.-H. Zhou, H. Zhou, J.-W. Xu and J.-C. Deng. 6,7,8,9-Tetrahydro-5H-pyrido[2,3-b]azepine-5,8-dione: a hydrogen-bonded dimer structure, Acta Cryst. (2006). E62, o2918-o2919