Ensaculin

Base Information

• Chemical Name: Ensaculin
• CAS No.: 155773-59-4
• Molecular Formula: C26H32 N2 O5
• Molecular Weight: 452.54
• UNII: 869PGR00AT
• DSSTox Substance ID: DTXSID10870034
• Nikkaji Number: J984.533J
• Wikipedia: Ensaculin
• Wikidata: Q5379899
• NCI Thesaurus Code: C74243
• ChEMBL ID: CHEMBL1963107
• Mol file: 155773-59-4.mol

Synonyms:7-methoxy-6-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propoxy)3,4-dimethyl-2H-1-benzopyran-2-one;Ensaculin;ensaculin hydrochloride;KA-672

Chemical Property of Ensaculin

Chemical Property:

• Vapor Pressure: 7.01E-16mmHg at 25°C
• Boiling Point: 632°Cat760mmHg
• PKA: 7.35±0.10(Predicted)
• Flash Point: 336°C
• PSA: 0.00000
• Density: 1.169g/cm³
• LogP: 0.00000
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 452.23112213
• Heavy Atom Count: 33
• Complexity: 690

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)C4=CC=CC=C4OC)OC)C