N-[(3,6-Dioxo-2-piperazinyl)carbonyl]-L-alanine
[CAS# 98594-94-6]

Identification

• Name: N-[(3,6-Dioxo-2-piperazinyl)carbonyl]-L-alanine
• Synonyms: (2S)-2-(3,6-dioxopiperazine-2-carboxamido)propanoic acid
• Molecular Formula: C₈H₁₁N₃O₅
• Molecular Weight: 229.19
• CAS Registry Number: 98594-94-6
• SMILES: C[C@@H](C(=O)O)NC(=O)C1C(=O)NCC(=O)N1
• InChI: 1S/C8H11N3O5/c1-3(8(15)16)10-7(14)5-6(13)9-2-4(12)11-5/h3,5H,2H2,1H3,(H,9,13)(H,10,14)(H,11,12)(H,15,16)/t3-,5?/m0/s1
• InChIKey: CBZZWOYIYIQFBN-WWLRPLJCSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 849.4±65.0°C at 760 mmHg (Cal.)
• Flash point: 467.5±34.3°C (Cal.)