1-[2-(Methylsulphonyl)phenyl]piperazine

Base Information

• Chemical Name: 1-[2-(Methylsulphonyl)phenyl]piperazine
• CAS No.: 313490-26-5
• Molecular Formula: C11H16N2O2S
• Molecular Weight: 240.32200
• DSSTox Substance ID: DTXSID50459125
• Wikidata: Q82282757
• Mol file: 313490-26-5.mol

Synonyms:1-[2-(methylsulphonyl)phenyl]piperazine;313490-26-5;1-(2-(Methylsulfonyl)phenyl)piperazine;1-(2-methylsulfonylphenyl)piperazine;1-(2-methanesulfonyl-phenyl)-piperazine;1-(2-methanesulfonylphenyl)piperazine;1-[2-(Methylsulfonyl)phenyl]piperazine;Piperazine, 1-[2-(methylsulfonyl)phenyl]-;MFCD08692378;SCHEMBL3848435;DTXSID50459125;INKLJEOCOONOOR-UHFFFAOYSA-N;AKOS005264649;FS-2107;SB36530;SY004469;BB 0259667;CS-0205524;EN300-2007522;A875941

Chemical Property of 1-[2-(Methylsulphonyl)phenyl]piperazine

Chemical Property:

• Vapor Pressure: 1.93E-08mmHg at 25°C
• Melting Point: 133-134oC
• Boiling Point: 454.3oC at 760 mmHg
• PKA: 8.76±0.10(Predicted)
• Flash Point: 228.5oC
• PSA: 57.79000
• Density: 1.204g/cm3
• LogP: 1.97430
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 240.09324893
• Heavy Atom Count: 16
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

1-[2-(Methylsulphonyl)phenyl]piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=CC=C1N2CCNCC2