(2E)-3-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-4-[(2-hydroxybenzyl)oxy]-4-oxo-2-butenoic acid
[CAS# 85915-86-2]

Identification

• Name: (2E)-3-({[2-(3,4-Dimethoxyphenyl)ethyl]amino}methyl)-4-[(2-hydroxybenzyl)oxy]-4-oxo-2-butenoic acid
• Synonyms: TA 078; TA-078
• Molecular Formula: C₂₂H₂₅NO₇
• Molecular Weight: 415.44
• CAS Registry Number: 85915-86-2
• SMILES: O=C(O)\C=C(\C(=O)OCc1ccccc1O)CNCCc2cc(OC)c(OC)cc2
• InChI: 1S/C22H25NO7/c1-28-19-8-7-15(11-20(19)29-2)9-10-23-13-17(12-21(25)26)22(27)30-14-16-5-3-4-6-18(16)24/h3-8,11-12,23-24H,9-10,13-14H2,1-2H3,(H,25,26)/b17-12+
• InChIKey: IGSWJKUKCNMFDT-SFQUDFHCSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 637.628°C at 760 mmHg (Cal.)
• Flash point: 339.425°C (Cal.)