(2E,4E)-N-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide

Base Information

• Chemical Name: (2E,4E)-N-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
• CAS No.: 101619-11-8
• Molecular Formula: C32H36 N2 O4
• Molecular Weight: 0
• Nikkaji Number: J325.899H
• ChEMBL ID: CHEMBL124994
• Mol file: 101619-11-8.mol

Synonyms:1-((5'-(3''-methoxy-4''-hydroxyphenyl)-2',4'-pentadienyl)aminoethyl)-4-diphenylmethoxypiperidine;TMK 777;TMK-777

Chemical Property of (2E,4E)-N-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide

Chemical Property:

• Vapor Pressure: 6.95E-21mmHg at 25°C
• Boiling Point: 711°Cat760mmHg
• Flash Point: 383.8°C
• PSA: 71.03000
• Density: 1.2g/cm³
• LogP: 5.68580
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 512.26750763
• Heavy Atom Count: 38
• Complexity: 718

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=CC=CC(=O)NCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)O
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/C=C/C(=O)NCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)O