4-acetyl-N-cycloheptyl-1H-pyrrole-2-carboxamide

Base Information

• Chemical Name: 4-acetyl-N-cycloheptyl-1H-pyrrole-2-carboxamide
• CAS No.: 439096-49-8
• Molecular Formula: C14H20N2O2
• Molecular Weight: 248.32
• DSSTox Substance ID: DTXSID201330141
• ChEMBL ID: CHEMBL1419802
• Mol file: 439096-49-8.mol

Synonyms:4-acetyl-N-cycloheptyl-1H-pyrrole-2-carboxamide;439096-49-8;1H-Pyrrole-2-carboxamide,4-acetyl-N-cycloheptyl-(9CI);MLS001195597;CHEMBL1419802;DTXSID201330141;HMS2982L12;MFCD03012651;AKOS015991766;SMR000672491;10R-0296;Z108847818

Chemical Property of 4-acetyl-N-cycloheptyl-1H-pyrrole-2-carboxamide

Chemical Property:

• Boiling Point: 471.5±30.0 °C(Predicted)
• PKA: 13.89±0.50(Predicted)
• PSA: 61.96000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 3.06080
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 248.152477885
• Heavy Atom Count: 18
• Complexity: 309

Purity/Quality:

4-Acetyl-N-cycloheptyl-1H-pyrrole-2-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CNC(=C1)C(=O)NC2CCCCCC2