Adafenoxate

Base Information

• Chemical Name: Adafenoxate
• CAS No.: 82168-26-1
• Molecular Formula: C20H26ClNO3
• Molecular Weight: 363.88
• UNII: B8VQU4C05J
• DSSTox Substance ID: DTXSID4046280
• Nikkaji Number: J33.099J
• Wikipedia: Adafenoxate
• Wikidata: Q4678359
• NCI Thesaurus Code: C72680
• ChEMBL ID: CHEMBL2104053,CHEMBL1592191
• Mol file: 82168-26-1.mol

Synonyms:2-(1-adamantylamino)ethyl(p-chlorophenoxy)acetate;adafenoxate

Chemical Property of Adafenoxate

Chemical Property:

• Vapor Pressure: 1.02E-09mmHg at 25°C
• Boiling Point: 489.2°C at 760 mmHg
• Flash Point: 249.7°C
• PSA: 47.56000
• Density: 1.24g/cm³
• LogP: 4.21130
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 363.1601214
• Heavy Atom Count: 25
• Complexity: 434

Purity/Quality:

99%, ^*data from raw suppliers

Adafenoxate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)NCCOC(=O)COC4=CC=C(C=C4)Cl
• Therapeutic Function: Nootropic, Psychostimulant