(Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate
[CAS# 106064-11-3]

Identification

• Name: (Z)-3-(5-Chloro-2-(2-(diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one citrate
• Synonyms: 2-(Carboxymethyl)-2,4-Dihydroxy-4-Oxo-Butanoate; 2-[4-Chloro-2-[(1Z)-2-Oxo-1-(Phenylmethylene)Propoxy]Phenoxy]Ethyl-Diethyl-Ammonium; 2-(Carboxymethyl)-2,4-Dihydroxy-4-Oxobutanoate; 2-[4-Chloro-2-[(1Z)-2-Oxo-1-(Phenylmethylene)Propoxy]Phenoxy]Ethyl-Diethylammonium; 2-[2-[(Z)-1-Acetyl-2-Phenyl-Ethenoxy]-4-Chloro-Phenoxy]Ethyl-Diethyl-Ammonium; 2-(Carboxymethyl)-2,4-Dihydroxy-4-Keto-Butyrate
• Molecular Formula: C₂₈H₃₄ClNO₁₀
• Molecular Weight: 580.03
• CAS Registry Number: 106064-11-3
• SMILES: C2=C(OC(=C\C1=CC=CC=C1)/C(=O)C)C(=CC=C2Cl)OCC[NH+](CC)CC.C(C(O)(C([O-])=O)CC(=O)O)C(=O)O
• InChI: 1S/C22H26ClNO3.C6H8O7/c1-4-24(5-2)13-14-26-20-12-11-19(23)16-22(20)27-21(17(3)25)15-18-9-7-6-8-10-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-12,15-16H,4-5,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b21-15-
• InChIKey: PMCOAKVXCMEQPN-XGRJIHFXSA-N

Properties

• Boiling point: 532.2°C at 760 mmHg (Cal.)
• Flash point: 275.6°C (Cal.)