2-[4-(2-Hydroxyethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Base Information

• Chemical Name: 2-[4-(2-Hydroxyethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
• CAS No.: 80101-15-1
• Molecular Formula: C13H18N2O2
• Molecular Weight: 234.298
• ChEMBL ID: CHEMBL170034
• DSSTox Substance ID: DTXSID40575348
• Nikkaji Number: J612.496H
• Mol file: 80101-15-1.mol

Synonyms:80101-15-1;2-[4-(2-Hydroxyethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one;CHEMBL170034;SCHEMBL11110078;DTXSID40575348;YWXFARDTFRALFT-UHFFFAOYSA-N;4-(2-oxo-3,5,7-cycloheptatrien-1-yl)-1-piperazine-ethanol

Chemical Property of 2-[4-(2-Hydroxyethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 364

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCO)C2=CC=CC=CC2=O