1-(2-Methoxy-5-methylphenyl)sulfonylpiperazin-4-ium

Base Information

• Chemical Name: 1-(2-Methoxy-5-methylphenyl)sulfonylpiperazin-4-ium
• CAS No.: 436099-67-1
• Molecular Formula: C12H18N2O3S
• Molecular Weight: 271.3553
• DSSTox Substance ID: DTXSID10428655
• Wikidata: Q82241472
• Mol file: 436099-67-1.mol

Synonyms:436099-67-1;1-(2-methoxy-5-methylphenyl)sulfonylpiperazin-4-ium;4-[(2-Methoxy-5-methylphenyl)sulfonyl]piperazin-1-ium;1-((2-Methoxy-5-methylphenyl)sulfonyl)piperazine hydrochloride;DTXSID10428655;4-(2-Methoxy-5-methylbenzene-1-sulfonyl)piperazin-1-ium

Chemical Property of 1-(2-Methoxy-5-methylphenyl)sulfonylpiperazin-4-ium

Chemical Property:

• Vapor Pressure: 5.57E-08mmHg at 25°C
• Boiling Point: 441.1 °C at 760 mmHg
• Flash Point: 220.6 °C
• PSA: 67.02000
• LogP: 1.94500
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 271.11163865
• Heavy Atom Count: 18
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Methoxy-5-methyl-benzenesulfonyl)-piperazinehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH2+]CC2