(2R,3R)-2,3-Dihydroxysuccinic acid - 1-(2-{[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}ethyl)piperidine (1:1)
[CAS# 86871-53-6]

Identification

• Name: (2R,3R)-2,3-Dihydroxysuccinic acid - 1-(2-{[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}ethyl)piperidine (1:1)
• Synonyms: Piperidine, 1-(2-((5-(4-chlorophenyl)-1H-pyrazol-3-yl)oxy)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
• Molecular Formula: C₂₀H₂₆ClN₃O₇
• Molecular Weight: 455.89
• CAS Registry Number: 86871-53-6
• SMILES: O=C(O)[C@H](O)[C@@H](O)C(=O)O.Clc1ccc(cc1)c3cc(OCCN2CCCCC2)nn3
• InChI: 1S/C16H20ClN3O.C4H6O6/c17-14-6-4-13(5-7-14)15-12-16(19-18-15)21-11-10-20-8-2-1-3-9-20;5-1(3(7)8)2(6)4(9)10/h4-7,12H,1-3,8-11H2,(H,18,19);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
• InChIKey: QLHKUJICPCKELA-LREBCSMRSA-N

Properties

• Boiling point: 501.1°C at 760 mmHg (Cal.)
• Flash point: 256.9°C (Cal.)