5-Phosphono-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid
[CAS# 140202-46-6]

Identification

• Name: 5-Phosphono-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid
• Synonyms: 3-Isoquinolinecarboxylic Acid, 1,2,3,4-Tetrahydro-5-Phosphono-, (+-)-; Sc 48981; Sc-48981
• Molecular Formula: C₁₀H₁₂NO₅P
• Molecular Weight: 257.18
• CAS Registry Number: 140202-46-6
• SMILES: C2=C([P](=O)(O)O)C1=C(CNC(C1)C(=O)O)C=C2
• InChI: 1S/C10H12NO5P/c12-10(13)8-4-7-6(5-11-8)2-1-3-9(7)17(14,15)16/h1-3,8,11H,4-5H2,(H,12,13)(H2,14,15,16)
• InChIKey: VRDCPZSTZJNJOF-UHFFFAOYSA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Boiling point: 608.163°C at 760 mmHg (Cal.)
• Flash point: 321.606°C (Cal.)