N-[(1-Chloro-4-hydroxy-5-methyl-3-isoquinolinyl)carbonyl]glycine
[CAS# 947516-54-3]

Identification

• Name: N-[(1-Chloro-4-hydroxy-5-methyl-3-isoquinolinyl)carbonyl]glycine
• Synonyms: 2-(1-chloro-4-hydroxy-5-methylisoquinoline-3-carboxamido)acetic acid
• Molecular Formula: C₁₃H₁₁ClN₂O₄
• Molecular Weight: 294.69
• CAS Registry Number: 947516-54-3
• SMILES: Cc1cccc2c1c(c(nc2Cl)C(=O)NCC(=O)O)O
• InChI: 1S/C13H11ClN2O4/c1-6-3-2-4-7-9(6)11(19)10(16-12(7)14)13(20)15-5-8(17)18/h2-4,19H,5H2,1H3,(H,15,20)(H,17,18)
• InChIKey: CJOMJHDOQCDEGG-UHFFFAOYSA-N

Properties

• Density: 1.512g/cm³ (Cal.)
• Boiling point: 666.534°C at 760 mmHg (Cal.)
• Flash point: 356.907°C (Cal.)
• Refractive index: 1.679 (Cal.)