(Z)-4-Phenyl-3-(2-(3-piperidinopropoxy)phenoxy)-3-buten-2-one citrate
[CAS# 106064-09-9]

Identification

• Name: (Z)-4-Phenyl-3-(2-(3-piperidinopropoxy)phenoxy)-3-buten-2-one citrate
• Synonyms: 2-(Carboxymethyl)-2,4-Dihydroxy-4-Oxo-Butanoate; (Z)-4-Phenyl-3-[2-(3-Piperidin-1-Ium-1-Ylpropoxy)Phenoxy]But-3-En-2-One; 2-(Carboxymethyl)-2,4-Dihydroxy-4-Oxobutanoate; (Z)-4-Phenyl-3-[2-[3-(1-Piperidin-1-Iumyl)Propoxy]Phenoxy]But-3-En-2-One; 2-(Carboxymethyl)-2,4-Dihydroxy-4-Keto-Butyrate; (Z)-4-Phenyl-3-[2-(3-Piperidin-1-Ium-1-Ylpropoxy)Phenoxy]But-3-En-2-One
• Molecular Formula: C₃₀H₃₇NO₁₀
• Molecular Weight: 571.62
• CAS Registry Number: 106064-09-9
• SMILES: C2=C(OC(=C\C1=CC=CC=C1)/C(=O)C)C(=CC=C2)OCCC[NH+]3CCCCC3.C(C(O)(C([O-])=O)CC(=O)O)C(=O)O
• InChI: 1S/C24H29NO3.C6H8O7/c1-20(26)24(19-21-11-4-2-5-12-21)28-23-14-7-6-13-22(23)27-18-10-17-25-15-8-3-9-16-25;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4-7,11-14,19H,3,8-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b24-19-
• InChIKey: SVAHVALPUSLJCW-BMGIYVBOSA-N

Properties

• Boiling point: 559.4°C at 760 mmHg (Cal.)
• Flash point: 292.1°C (Cal.)