Ethanone, 2-(1-(cyclopropylmethyl)-4-piperidinyl)-1-(4-fluorophenyl)-, hydrobromide

Base Information

• Chemical Name: Ethanone, 2-(1-(cyclopropylmethyl)-4-piperidinyl)-1-(4-fluorophenyl)-, hydrobromide
• CAS No.: 135135-87-4
• Molecular Formula: C17H22 F N O . Br H
• Molecular Weight: 356.277
• UNII: C37356QT0J
• DSSTox Substance ID: DTXSID40159263
• Wikidata: Q27275133
• Pharos Ligand ID: RK7JBBP1GNWB
• ChEMBL ID: CHEMBL543412
• Mol file: 135135-87-4.mol

Synonyms:1-(cyclopropylmethyl)-4-(2'-(4''-fluorophenyl)-2'-oxoethyl)piperidine;DuP 734;DuP-734

Chemical Property of Ethanone, 2-(1-(cyclopropylmethyl)-4-piperidinyl)-1-(4-fluorophenyl)-, hydrobromide

Chemical Property:

• Vapor Pressure: 4.07E-06mmHg at 25°C
• Boiling Point: 384.5°Cat760mmHg
• Flash Point: 186.4°C
• PSA: 20.31000
• Density: g/cm³
• LogP: 4.41650
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 355.09471
• Heavy Atom Count: 21
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

DuP734 98.27% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1CN2CCC(CC2)CC(=O)C3=CC=C(C=C3)F.Br