1-(4-Cyclopentylphenyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]ethanol (2Z)-2-butenedioate (1:2)
[CAS# 85690-03-5]

Identification

• Name: 1-(4-Cyclopentylphenyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]ethanol (2Z)-2-butenedioate (1:2)
• Synonyms: α-(4-Cyclopentylphenyl)-1,4-piperazinediethanol (Z)-2-butenedioate (1:2)
• Molecular Formula: C₂₇H₃₈N₂O₁₀
• Molecular Weight: 550.60
• CAS Registry Number: 85690-03-5
• SMILES: O=C(O)\C=C/C(=O)O.O=C(O)\C=C/C(=O)O.OCCN1CCN(CC1)CC(O)c2ccc(cc2)C3CCCC3
• InChI: 1S/C19H30N2O2.2C4H4O4/c22-14-13-20-9-11-21(12-10-20)15-19(23)18-7-5-17(6-8-18)16-3-1-2-4-16;2*5-3(6)1-2-4(7)8/h5-8,16,19,22-23H,1-4,9-15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
• InChIKey: NSKBZPAZBFQGQH-SPIKMXEPSA-N

Properties

• Boiling point: 495.7°C at 760 mmHg (Cal.)
• Flash point: 253.5°C (Cal.)