4-[4-[2-(4-Ethoxycarbonyl-4-phenylpiperidin-1-yl)ethyl]anilino]-4-oxobutanoic acid

Base Information

• Chemical Name: 4-[4-[2-(4-Ethoxycarbonyl-4-phenylpiperidin-1-yl)ethyl]anilino]-4-oxobutanoic acid
• CAS No.: 7146-72-7
• Molecular Formula: C26H32 N2 O5
• Molecular Weight: 0
• NSC Number: 23841
• DSSTox Substance ID: DTXSID90919490
• Wikidata: Q82892018
• ChEMBL ID: CHEMBL1869038
• Mol file: 7146-72-7.mol

Synonyms:7146-72-7;MLS002638962;NSC23841;CHEMBL1869038;DTXSID90919490;HMS3085I13;NSC-23841;91840-16-3;SMR001548422;3-[[4-[2-(4-Ethoxycarbonyl-4-phenyl-1-piperidyl)ethyl]phenyl]carbamoyl]propanoic acid;4-(4-{2-[4-(Ethoxycarbonyl)-4-phenylpiperidin-1-yl]ethyl}anilino)-4-oxobutanoic acid

Chemical Property of 4-[4-[2-(4-Ethoxycarbonyl-4-phenylpiperidin-1-yl)ethyl]anilino]-4-oxobutanoic acid

Chemical Property:

• Vapor Pressure: 3.95E-18mmHg at 25°C
• Boiling Point: 656.5°C at 760 mmHg
• Flash Point: 350.8°C
• PSA: 95.94000
• Density: 1.212g/cm³
• LogP: 3.64020
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 452.23112213
• Heavy Atom Count: 33
• Complexity: 645

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)NC(=O)CCC(=O)O)C3=CC=CC=C3