1-[[2-[(2-Aminophenyl)amino]-5-methyl-3-thienyl]carbonyl]-4-methyl-piperazine

Base Information

• Chemical Name: 1-[[2-[(2-Aminophenyl)amino]-5-methyl-3-thienyl]carbonyl]-4-methyl-piperazine
• CAS No.: 138564-61-1
• Molecular Formula: C17H22N4OS
• Molecular Weight: 0.00000
• DSSTox Substance ID: DTXSID501137162
• Mol file: 138564-61-1.mol

Synonyms:138564-61-1;1-[[2-[(2-Aminophenyl)amino]-5-methyl-3-thienyl]carbonyl]-4-methyl-piperazine;[2-(2-aminoanilino)-5-methylthiophen-3-yl]-(4-methylpiperazin-1-yl)methanone;(2-((2-Aminophenyl)amino)-5-methylthiophen-3-yl)(4-methylpiperazin-1-yl)methanone;[2-[(2-Aminophenyl)amino]-5-methyl-3-thienyl](4-methyl-1-piperazinyl)methanone;Olanzapine Ring-opening Impurity;SCHEMBL2537109;DTXSID501137162;BCP28387;J-007156

Chemical Property of 1-[[2-[(2-Aminophenyl)amino]-5-methyl-3-thienyl]carbonyl]-4-methyl-piperazine

Chemical Property:

• Melting Point: 127 - 128°C
• Boiling Point: 511.7±50.0 °C(Predicted)
• PKA: 6.72±0.10(Predicted)
• PSA: 0.00000
• Density: 1.272±0.06 g/cm3(Predicted)
• LogP: 0.00000
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 330.15143251
• Heavy Atom Count: 23
• Complexity: 413

Purity/Quality:

99%+, ^*data from raw suppliers

1-[[2-[(2-Aminophenyl)amino]-5-methyl-3-thienyl]carbonyl]-4-methyl-piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(S1)NC2=CC=CC=C2N)C(=O)N3CCN(CC3)C
• Uses: 1-[[2-[(2-Aminophenyl)amino]-5-methyl-3-thienyl]carbonyl]-4-methyl-piperazine is an impurity of Olanzapine (O253750), a serotonin (5-HT2) and dopamine (D1/D2) receptor antagonist with anticholinergic activity.