N-[(7-Chloro-4-hydroxy-1-methyl-3-isoquinolinyl)carbonyl]glycine
[CAS# 916171-78-3]

Identification

• Name: N-[(7-Chloro-4-hydroxy-1-methyl-3-isoquinolinyl)carbonyl]glycine
• Synonyms: 2-(7-chloro-4-hydroxy-1-methylisoquinoline-3-carboxamido)acetic acid; GLYCINE, N-[(7-CHLORO-4-HYDROXY-1-METHYL-3-ISOQUINOLINYL)CARBONYL]-
• Molecular Formula: C₁₃H₁₁ClN₂O₄
• Molecular Weight: 294.69
• CAS Registry Number: 916171-78-3
• SMILES: O=C(O)CNC(=O)c1nc(c2c(c1O)ccc(Cl)c2)C
• InChI: 1S/C13H11ClN2O4/c1-6-9-4-7(14)2-3-8(9)12(19)11(16-6)13(20)15-5-10(17)18/h2-4,19H,5H2,1H3,(H,15,20)(H,17,18)
• InChIKey: GJXSIWAHDZXUNY-UHFFFAOYSA-N

Properties

• Density: 1.512g/cm³ (Cal.)
• Boiling point: 647.512°C at 760 mmHg (Cal.)
• Flash point: 345.403°C (Cal.)
• Refractive index: 1.679 (Cal.)