(2E)-4-{4-[2-Amino-2-(4-methylphenyl)ethyl]-2-hydroxyphenoxy}-4-oxo-2-butenoic acid
[CAS# 87203-73-4]

Identification

• Name: (2E)-4-{4-[2-Amino-2-(4-methylphenyl)ethyl]-2-hydroxyphenoxy}-4-oxo-2-butenoic acid
• Synonyms: 1,2-Benzenediol, 4-(2-amino-2-(4-methylphenyl)ethyl)-, (Z)-2-butenedioate (1:1) (salt); 4-(2-Amino-2-(4-methylphenyl)ethyl)-1,2-benzenediol (Z)-2-butenedioate (1:1) (salt)
• Molecular Formula: C₁₉H₁₉NO₅
• Molecular Weight: 341.36
• CAS Registry Number: 87203-73-4
• SMILES: O=C(Oc1ccc(cc1O)CC(c2ccc(cc2)C)N)\C=C\C(=O)O
• InChI: 1S/C19H19NO5/c1-12-2-5-14(6-3-12)15(20)10-13-4-7-17(16(21)11-13)25-19(24)9-8-18(22)23/h2-9,11,15,21H,10,20H2,1H3,(H,22,23)/b9-8+
• InChIKey: URHHVEOFQSZTGU-CMDGGOBGSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 550.896°C at 760 mmHg (Cal.)
• Flash point: 286.972°C (Cal.)