N-[(1-Cyano-4-hydroxy-3-isoquinolinyl)carbonyl]glycine
[CAS# 945739-63-9]

Identification

• Name: N-[(1-Cyano-4-hydroxy-3-isoquinolinyl)carbonyl]glycine
• Synonyms: 2-(1-cyano-4-hydroxyisoquinoline-3-carboxamido)acetic acid
• Molecular Formula: C₁₃H₉N₃O₄
• Molecular Weight: 271.23
• CAS Registry Number: 945739-63-9
• SMILES: c1ccc2c(c1)c(nc(c2O)C(=O)NCC(=O)O)C#N
• InChI: 1S/C13H9N3O4/c14-5-9-7-3-1-2-4-8(7)12(19)11(16-9)13(20)15-6-10(17)18/h1-4,19H,6H2,(H,15,20)(H,17,18)
• InChIKey: BJAJGXRKYCBVJL-UHFFFAOYSA-N

Properties

• Density: 1.576g/cm³ (Cal.)
• Boiling point: 742.728°C at 760 mmHg (Cal.)
• Flash point: 402.988°C (Cal.)
• Refractive index: 1.713 (Cal.)