Tert-butyl 4-(2-cyano-4-methylphenyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(2-cyano-4-methylphenyl)piperazine-1-carboxylate
• CAS No.: 1027911-78-9
• Molecular Formula: C17H23N3O2
• Molecular Weight: 301.38342
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40468463
• Wikidata: Q82295663
• Mol file: 1027911-78-9.mol

Synonyms:TERT-BUTYL 4-(2-CYANO-4-METHYLPHENYL)PIPERAZINE-1-CARBOXYLATE;1027911-78-9;SCHEMBL23220924;DTXSID40468463;CRB91178;MFCD17214276;AKOS015836125;BS-25778;CS-0208464

Chemical Property of Tert-butyl 4-(2-cyano-4-methylphenyl)piperazine-1-carboxylate

Chemical Property:

• Boiling Point: 466.2±45.0 °C(Predicted)
• PKA: 1.92±0.10(Predicted)
• PSA: 56.57000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 2.92668
• Storage Temp.: Room temperature.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 301.17902698
• Heavy Atom Count: 22
• Complexity: 441

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-(2-Cyano-4-methylphenyl)piperazine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)C#N