Flesinoxan hydrochloride

Base Information

• Chemical Name: Flesinoxan hydrochloride
• CAS No.: 98205-89-1
• Molecular Formula: C22H26 F N3 O4 . Cl H
• Molecular Weight: 451.9188832
• UNII: 8HV9S83FNY
• DSSTox Substance ID: DTXSID20243513
• Wikidata: Q27270549
• Mol file: 98205-89-1.mol

Synonyms:DU 29373;DU-29373;flesinoxan;p-fluoro-N-(2-(4-(2-(hydroxymethyl)-1,4-benzodioxan-5-yl)-1-piperazinyl)ethyl)benzamide

Chemical Property of Flesinoxan hydrochloride

Chemical Property:

• Melting Point: 184.5-185.5°; mp 183.0-184.0° (Ennis)
• Boiling Point: 635.8°Cat760mmHg
• Flash Point: 338.3°C
• PSA: 74.27000
• Density: 1.271g/cm³
• LogP: 2.70560
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 451.1674122
• Heavy Atom Count: 31
• Complexity: 553

Purity/Quality:

FLESINOXAN HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C3=C4C(=CC=C3)OC(CO4)CO.Cl
• Isomeric SMILES: C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C3=C4C(=CC=C3)O[C@H](CO4)CO.Cl