N-[(1-Cyano-4,7-dihydroxy-3-isoquinolinyl)carbonyl]glycine
[CAS# 945740-15-8]

Identification

• Name: N-[(1-Cyano-4,7-dihydroxy-3-isoquinolinyl)carbonyl]glycine
• Synonyms: 2-(1-cyano-4,7-dihydroxyisoquinoline-3-carboxamido)acetic acid
• Molecular Formula: C₁₃H₉N₃O₅
• Molecular Weight: 287.23
• CAS Registry Number: 945740-15-8
• SMILES: c1cc2c(cc1O)c(nc(c2O)C(=O)NCC(=O)O)C#N
• InChI: 1S/C13H9N3O5/c14-4-9-8-3-6(17)1-2-7(8)12(20)11(16-9)13(21)15-5-10(18)19/h1-3,17,20H,5H2,(H,15,21)(H,18,19)
• InChIKey: PDZURKICFJDDOM-UHFFFAOYSA-N

Properties

• Density: 1.699g/cm³ (Cal.)
• Boiling point: 822.821°C at 760 mmHg (Cal.)
• Flash point: 451.426°C (Cal.)
• Refractive index: 1.752 (Cal.)