(1S,4R)-4-Amino-3-oxo-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid
[CAS# 780726-56-9]

Identification

• Name: (1S,4R)-4-Amino-3-oxo-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid
• Synonyms: (1S,4R)-4-amino-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
• Molecular Formula: C₁₀H₁₀N₂O₃
• Molecular Weight: 206.20
• CAS Registry Number: 780726-56-9
• SMILES: c1ccc2c(c1)[C@H](C(=O)N[C@@H]2C(=O)O)N
• InChI: 1S/C10H10N2O3/c11-7-5-3-1-2-4-6(5)8(10(14)15)12-9(7)13/h1-4,7-8H,11H2,(H,12,13)(H,14,15)/t7-,8+/m1/s1
• InChIKey: LUHAKQGBLAIGPP-SFYZADRCSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 559.535°C at 760 mmHg (Cal.)
• Flash point: 292.196°C (Cal.)
• Refractive index: 1.611 (Cal.)