(Z)-but-2-enedioic acid;1-phenyl-4-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-ol

Base Information

• Chemical Name: (Z)-but-2-enedioic acid;1-phenyl-4-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-ol
• CAS No.: 2417-27-8
• Molecular Formula: C26H30F3NO5
• Molecular Weight: 493.5153
• NSC Number: 75743
• DSSTox Substance ID: DTXSID40418246
• ChEMBL ID: CHEMBL1903230

Synonyms:MLS002693959;2417-27-8;NSC75743;CHEMBL1903230;DTXSID40418246;HMS3079D13;NSC-75743;SMR001559896

Chemical Property of (Z)-but-2-enedioic acid;1-phenyl-4-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-ol

Chemical Property:

• Vapor Pressure: 8.55E-11mmHg at 25°C
• Boiling Point: 499.4°C at 760 mmHg
• Flash Point: 255.9°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 493.20760754
• Heavy Atom Count: 35
• Complexity: 554

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C(F)(F)F)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C(F)(F)F)O.C(=C\C(=O)O)\C(=O)O

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