alpha-(4-Cyclopentylphenyl)-1,4-piperazinediethanol (Z)-2-butenedioate (1:2)

Base Information

• Chemical Name: alpha-(4-Cyclopentylphenyl)-1,4-piperazinediethanol (Z)-2-butenedioate (1:2)
• CAS No.: 85690-03-5
• Molecular Formula: C27H38N2O10
• Molecular Weight: 694.817
• Mol file: 85690-03-5.mol

Synonyms:alpha-(4-Cyclopentylphenyl)-1,4-piperazinediethanol (Z)-2-butenedioate (1:2);85690-03-5;1,4-Piperazinediethanol, alpha-(4-cyclopentylphenyl)-, (Z)-2-butenedioate (1:2);LS-111518

Chemical Property of alpha-(4-Cyclopentylphenyl)-1,4-piperazinediethanol (Z)-2-butenedioate (1:2)

Chemical Property:

• Vapor Pressure: 1.2E-10mmHg at 25°C
• Boiling Point: 495.7°C at 760 mmHg
• Flash Point: 253.5°C
• PSA: 121.54000
• LogP: 1.57510
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 550.25264541
• Heavy Atom Count: 39
• Complexity: 449

Purity/Quality:

ALPHA-(4-CYCLOPENTYLPHENYL)-1,4-PIPERAZINEDIETHANOL (Z)-2-BUTENEDIOATE (1:2) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)C2=CC=C(C=C2)C(CN3CCN(CC3)CCO)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1CC(CC1)C2=CC=C(C=C2)C(O)CN3CCN(CC3)CCO.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

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