5-Benzyl-3,6-Dioxo-2-Piperazineacetic Acid
[CAS# 5262-10-2]

Identification

• Classification: Analytical chemistry >> Standard >> Food and beverage standards
• Name: 5-Benzyl-3,6-Dioxo-2-Piperazineacetic Acid
• Synonyms: 2-[(2S,5S)-3,6-Dioxo-5-(Phenylmethyl)-2-Piperazinyl]Acetic Acid; 2-[(2S,5S)-5-(Benzyl)-3,6-Diketo-Piperazin-2-Yl]Acetic Acid; 2-[(2S,5S)-3,6-Dioxo-5-(Phenylmethyl)Piperazin-2-Yl]Ethanoic Acid
• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.26
• CAS Registry Number: 5262-10-2
• EINECS: 226-075-1
• SMILES: [C@H]1(NC(=O)[C@@H](NC1=O)CC(=O)O)CC2=CC=CC=C2
• InChI: 1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/t9-,10-/m0/s1
• InChIKey: VNHJXYUDIBQDDX-UWVGGRQHSA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 667.361°C at 760 mmHg (Cal.)
• Flash point: 357.407°C (Cal.)