Methyl N-[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-L-alaninate
[CAS# 778624-05-8]

Identification

• Name: Methyl N-[(2Z)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-L-alaninate
• Synonyms: "N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-L-alanine, methyl ester"; 3,4-Dihydroxycinnamic acid (L-alanine methyl ester) amide; CAY10487
• Molecular Formula: C₁₃H₁₅NO₅
• Molecular Weight: 265.26
• CAS Registry Number: 778624-05-8
• SMILES: CC(C(=O)OC)NC(=O)C=Cc1ccc(c(c1)O)O
• InChI: 1S/C13H15NO5/c1-8(13(18)19-2)14-12(17)6-4-9-3-5-10(15)11(16)7-9/h3-8,15-16H,1-2H3,(H,14,17)/b6-4-/t8-/m0/s1
• InChIKey: WFBBISJLIGYSGF-HORMHSFOSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 529.498°C at 760 mmHg (Cal.)
• Flash point: 274.031°C (Cal.)
• Refractive index: 1.603 (Cal.)