5-(Piperazin-1-yl)isoquinoline

Base Information

• Chemical Name: 5-(Piperazin-1-yl)isoquinoline
• CAS No.: 105685-17-4
• Molecular Formula: C₁₃H₁₅N₃
• Molecular Weight: 213.282
• DSSTox Substance ID: DTXSID70593550
• Wikidata: Q82488049
• Mol file: 105685-17-4.mol

Synonyms:5-(piperazin-1-yl)isoquinoline;105685-17-4;5-piperazin-1-ylisoquinoline;5-piperazin-1-yl-isoquinoline;Isoquinoline, 5-(1-piperazinyl)-;5-(1-piperazinyl)isoquinoline;SCHEMBL2420958;DTXSID70593550;MUBNVVQOLQPCFS-UHFFFAOYSA-N;AKOS009159126;DB-296273;CS-0109312;EN300-1846332;AU-004/43508291

Chemical Property of 5-(Piperazin-1-yl)isoquinoline

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.126597491
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC3=C2C=CN=C3