N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Tyrosine
[CAS# 124027-56-1]

Identification

• Name: N-[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Tyrosine
• Synonyms: 2-[3-(3,4-dihydroxy-phenyl)-acryloylamino]-3-(4-hydroxy-phenyl)-propionic acid; N-[3',4'-Dihydroxy-(E)-cinnamoyl]-L-tyrosine
• Molecular Formula: C₁₈H₁₇NO₆
• Molecular Weight: 343.33
• CAS Registry Number: 124027-56-1
• SMILES: C1=CC(=CC=C1CC(C(=O)O)NC(=O)/C=C/C2=CC(=C(C=C2)O)O)O
• InChI: 1S/C18H17NO6/c20-13-5-1-11(2-6-13)9-14(18(24)25)19-17(23)8-4-12-3-7-15(21)16(22)10-12/h1-8,10,14,20-22H,9H2,(H,19,23)(H,24,25)/b8-4+
• InChIKey: JRXLVUMFJASLDR-XBXARRHUSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 726.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 393.1±32.9°C (Cal.)
• Refractive index: 1.698 (Cal.)