1-(2,4-Dimethylallophanoyl)-4-(2-chlorophenyl)piperazine

Base Information

• Chemical Name: 1-(2,4-Dimethylallophanoyl)-4-(2-chlorophenyl)piperazine
• CAS No.: 80712-13-6
• Molecular Formula: C14H19ClN4O2
• Molecular Weight: 310.7793
• DSSTox Substance ID: DTXSID60230523
• Wikidata: Q83111101
• Mol file: 80712-13-6.mol

Synonyms:1-(2,4-Dimethylallophanoyl)-4-(2-chlorophenyl)piperazine;80712-13-6;1-Piperazinecarboxamide, 4-(2-chlorophenyl)-N-methyl-N-((methylamino)carbonyl)-;4-(2-Chlorophenyl)-N-methyl-N-((methylamino)carbonyl)-1-piperazinecarboxamide;DTXSID60230523;LS-110667

Chemical Property of 1-(2,4-Dimethylallophanoyl)-4-(2-chlorophenyl)piperazine

Chemical Property:

• Melting Point: 118-119 °C
• Boiling Point: °Cat760mmHg
• PKA: 15.92±0.46(Predicted)
• Flash Point: °C
• PSA: 59.38000
• Density: 1.283g/cm³
• LogP: 2.06050
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 310.1196536
• Heavy Atom Count: 21
• Complexity: 385

Purity/Quality:

99%min ^*data from raw suppliers

1-(2,4-DIMETHYLALLOPHANOYL)-4-(2-CHLOROPHENYL)PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)N(C)C(=O)N1CCN(CC1)C2=CC=CC=C2Cl