Ethyl 4-(4-bromophenyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Ethyl 4-(4-bromophenyl)piperazine-1-carboxylate
• CAS No.: 1226808-66-7
• Molecular Formula: C13H17BrN2O2
• Molecular Weight: 313.19028
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30681467
• Wikidata: Q82605520
• Mol file: 1226808-66-7.mol

Synonyms:1226808-66-7;Ethyl 4-(4-bromophenyl)piperazine-1-carboxylate;4-(4-Ethoxycarbonyl)piperazino-1-bromobenzene;DTXSID30681467;BZB80866;MFCD16295047;AKOS015999409;BS-21284;CS-0211320;Ethyl 4-(4-bromophenyl)-1-piperazinecarboxylate;A891057

Chemical Property of Ethyl 4-(4-bromophenyl)piperazine-1-carboxylate

Chemical Property:

• Boiling Point: 413.6±40.0 °C(Predicted)
• PKA: 2.83±0.10(Predicted)
• PSA: 32.78000
• Density: 1.404±0.06 g/cm3(Predicted)
• LogP: 2.73050
• Storage Temp.: Room temperature.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 312.04734
• Heavy Atom Count: 18
• Complexity: 272

Purity/Quality:

95% ^*data from raw suppliers

4-(4-Ethoxycarbonyl)piperazino-1-bromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)Br