3,4-Dihydro-1H-pyrido[3,4-b]azepine-2,5-dione
[CAS# 887576-77-4]

Identification

• Name: 3,4-Dihydro-1H-pyrido[3,4-b]azepine-2,5-dione
• Synonyms: 3,4-DIHYDRO-1H-PYRIDO[3,4-B]AZEPINE-2,5-DIONE
• Molecular Formula: C₉H₈N₂O₂
• Molecular Weight: 176.17
• CAS Registry Number: 887576-77-4
• SMILES: c1cncc2c1C(=O)CCC(=O)N2
• InChI: 1S/C9H8N2O2/c12-8-1-2-9(13)11-7-5-10-4-3-6(7)8/h3-5H,1-2H2,(H,11,13)
• InChIKey: AIXRBNUZJXAHEQ-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, S.-W. Wang, J.-C. Deng and J.-W. Xu. 1H-Pyrido[3,4-b]azepine-2,5(3H,4H)-dione: a hydrogen-bonded dimeric structure, Acta Cryst. (2006). E62, o5623-o5624