Diprafenone

Base Information

• Chemical Name: Diprafenone
• CAS No.: 81447-80-5
• Deprecated CAS: 85414-47-7
• Molecular Formula: C₂₃H₃₁NO₃
• Molecular Weight: 369.504
• UNII: 1P35MD5C1F
• DSSTox Substance ID: DTXSID10868613
• Wikipedia: Diprafenone
• Wikidata: Q15634017
• NCI Thesaurus Code: C65429
• Metabolomics Workbench ID: 144657
• ChEMBL ID: CHEMBL441809
• Mol file: 81447-80-5.mol

Synonyms:diprafenone

Chemical Property of Diprafenone

Chemical Property:

• Vapor Pressure: 4.34E-12mmHg at 25°C
• Boiling Point: 530.6°Cat760mmHg
• PKA: 13.82±0.20(Predicted)
• Flash Point: 274.7°C
• PSA: 58.56000
• Density: 1.072g/cm³
• LogP: 4.41090
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 369.23039385
• Heavy Atom Count: 27
• Complexity: 431

Purity/Quality:

99% ^*data from raw suppliers

DIPRAFENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O