2-Amino-4-(2-Aminophenyl)-4-Oxobutanoic Acid
[CAS# 3039-10-9]

Identification

• Name: 2-Amino-4-(2-Aminophenyl)-4-Oxobutanoic Acid
• Synonyms: 2-Amino-4-(2-Aminophenyl)-4-Oxo-Butanoic Acid; 2-Amino-4-(2-Aminophenyl)-4-Keto-Butyric Acid; Kynurenin
• Molecular Formula: C₁₀H₁₂N₂O₃
• Molecular Weight: 208.22
• CAS Registry Number: 3039-10-9
• SMILES: C1=CC=CC(=C1C(CC(C(O)=O)N)=O)N
• InChI: 1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)
• InChIKey: YGPSJZOEDVAXAB-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 466.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 236.0±28.7°C (Cal.)

References

• (1): Kopp Florian. Macrocyclization strategies in polyketide and nonribosomal peptide biosynthesis, Natural Product Reports, 2007