N-[(1,3-Dihydro-1,3-Dioxo-2H-Isoindol-2-Yl)Acetyl]-beta-Alanine
[CAS 17896-84-3]

Identification

• Name: N-[(1,3-Dihydro-1,3-Dioxo-2H-Isoindol-2-Yl)Acetyl]-beta-Alanine
• Synonyms: 3-[[2-(1,3-Dioxoisoindolin-2-Yl)Acetyl]Amino]Propanoic Acid; 3-[[2-(1,3-Dioxo-2-Isoindolinyl)-1-Oxoethyl]Amino]Propanoic Acid; 3-[[2-(1,3-Diketoisoindolin-2-Yl)Acetyl]Amino]Propionic Acid
• Molecular Formula: C₁₃H₁₂N₂O₅
• Molecular Weight: 276.25
• CAS Registry Number: 17896-84-3
• SMILES: C1=CC=CC2=C1C(N(CC(NCCC(O)=O)=O)C2=O)=O
• InChI: 1S/C13H12N2O5/c16-10(14-6-5-11(17)18)7-15-12(19)8-3-1-2-4-9(8)13(15)20/h1-4H,5-7H2,(H,14,16)(H,17,18)
• InChIKey: QEFDVIRGCVDRLF-UHFFFAOYSA-N

Properties

• Density: 1.452g/cm³ (Cal.)
• Boiling point: 587.178°C at 760 mmHg (Cal.)
• Flash point: 308.915°C (Cal.)