Diethyl-[2-[(2-Methylphenyl)-(3,4,5-Trimethoxybenzoyl)Amino]Ethyl]Azanium; (Z)-4-Hydroxy-4-Oxobut-2-Enoate
[CAS# 79796-08-0]

Identification

• Name: Diethyl-[2-[(2-Methylphenyl)-(3,4,5-Trimethoxybenzoyl)Amino]Ethyl]Azanium; (Z)-4-Hydroxy-4-Oxobut-2-Enoate
• Synonyms: Diethyl-[2-[(2-Methylphenyl)-(3,4,5-Trimethoxybenzoyl)Amino]Ethyl]Ammonium; (Z)-4-Hydroxy-4-Oxo-But-2-Enoate; Diethyl-[2-[(2-Methylphenyl)-[Oxo-(3,4,5-Trimethoxyphenyl)Methyl]Amino]Ethyl]Ammonium; (Z)-4-Hydroxy-4-Oxobut-2-Enoate; Diethyl-[2-[(2-Methylphenyl)-(3,4,5-Trimethoxybenzoyl)Amino]Ethyl]Ammonium; (Z)-4-Hydroxy-4-Keto-But-2-Enoate
• Molecular Formula: C₂₇H₃₆N₂O₈
• Molecular Weight: 516.59
• CAS Registry Number: 79796-08-0
• SMILES: C2=C(C(=O)N(C1=C(C=CC=C1)C)CC[NH+](CC)CC)C=C(OC)C(=C2OC)OC.O=C([O-])\C=C/C(=O)O
• InChI: 1S/C23H32N2O4.C4H4O4/c1-7-24(8-2)13-14-25(19-12-10-9-11-17(19)3)23(26)18-15-20(27-4)22(29-6)21(16-18)28-5;5-3(6)1-2-4(7)8/h9-12,15-16H,7-8,13-14H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• InChIKey: GRRAPPZWMNPIDL-BTJKTKAUSA-N

Properties

• Boiling point: 537.3°C at 760 mmHg (Cal.)
• Flash point: 278.8°C (Cal.)