Aceperone

Base Information

• Chemical Name: Aceperone
• CAS No.: 807-31-8
• Molecular Formula: C24H29 F N2 O2
• Molecular Weight: 396.505
• NSC Number: 170980
• UNII: S69KXZ59AB
• DSSTox Substance ID: DTXSID30230510
• Nikkaji Number: J7.100E
• Wikipedia: Aceperone
• Wikidata: Q4673090
• NCI Thesaurus Code: C72567
• Metabolomics Workbench ID: 144688
• ChEMBL ID: CHEMBL136298
• Mol file: 807-31-8.mol

Synonyms:aceperone;acetabutone;acetobuton

Chemical Property of Aceperone

Chemical Property:

• Vapor Pressure: 4.45E-14mmHg at 25°C
• Melting Point: 97-100°
• Boiling Point: 594°C at 760 mmHg
• Flash Point: 313°C
• PSA: 49.41000
• Density: 1.118g/cm³
• LogP: 4.28730
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 396.22130633
• Heavy Atom Count: 29
• Complexity: 531

Purity/Quality:

99%min ^*data from raw suppliers

ACEPERONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
• Therapeutic Function: Vasodilator, Antihypertensive, Neuroleptic