3-Phenyl-5-(2-piperidinoethyl)isoxazole citrate
[CAS# 912-12-9]

Identification

• Name: 3-Phenyl-5-(2-piperidinoethyl)isoxazole citrate
• Synonyms: 2-(Carboxymethyl)-2,4-Dihydroxy-4-Oxo-Butanoate; 1-[2-(3-Phenylisoxazol-5-Yl)Ethyl]Piperidin-1-Ium; 2-(Carboxymethyl)-2,4-Dihydroxy-4-Oxobutanoate; 1-[2-(3-Phenyl-5-Isoxazolyl)Ethyl]Piperidin-1-Ium; 2-(Carboxymethyl)-2,4-Dihydroxy-4-Keto-Butyrate; 1-[2-(3-P
• Molecular Formula: C₂₂H₂₈N₂O₈
• Molecular Weight: 448.47
• CAS Registry Number: 912-12-9
• SMILES: C1=C(ON=C1C2=CC=CC=C2)CC[NH+]3CCCCC3.C(C(O)(C([O-])=O)CC(=O)O)C(=O)O
• InChI: 1S/C16H20N2O.C6H8O7/c1-3-7-14(8-4-1)16-13-15(19-17-16)9-12-18-10-5-2-6-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h1,3-4,7-8,13H,2,5-6,9-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: WUYWHUFUKXULGK-UHFFFAOYSA-N

Properties

• Boiling point: 398.5°C at 760 mmHg (Cal.)
• Flash point: 194.8°C (Cal.)