N(3)-(4-Methoxyfumaroyl)-2,3-Diaminopropionic Acid
[CAS# 96920-07-9]

Identification

• Name: N(3)-(4-Methoxyfumaroyl)-2,3-Diaminopropionic Acid
• Synonyms: (2S)-2-Amino-3-[[(E)-4-Methoxy-4-Oxo-But-2-Enoyl]Amino]Propanoic Acid; (2S)-2-Amino-3-[[(E)-4-Methoxy-1,4-Dioxobut-2-Enyl]Amino]Propanoic Acid; (2S)-2-Amino-3-[[(E)-4-Keto-4-Methoxy-But-2-Enoyl]Amino]Propionic Acid
• Molecular Formula: C₈H₁₂N₂O₅
• Molecular Weight: 216.19
• CAS Registry Number: 96920-07-9
• SMILES: [C@H](CNC(\C=C\C(OC)=O)=O)(C(O)=O)N
• InChI: 1S/C8H12N2O5/c1-15-7(12)3-2-6(11)10-4-5(9)8(13)14/h2-3,5H,4,9H2,1H3,(H,10,11)(H,13,14)/b3-2+/t5-/m0/s1
• InChIKey: IXTGTEFAVXEHRV-HRJJCQLASA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 486.055°C at 760 mmHg (Cal.)
• Flash point: 247.757°C (Cal.)