4-Chloro-1-(piperazin-1-yl)isoquinoline

Base Information

• Chemical Name: 4-Chloro-1-(piperazin-1-yl)isoquinoline
• CAS No.: 401567-94-0
• Molecular Formula: C13H14 Cl N3
• Molecular Weight: 247.72
• DSSTox Substance ID: DTXSID20590610
• Wikidata: Q82484258
• Mol file: 401567-94-0.mol

Synonyms:4-Chloro-1-(piperazin-1-yl)isoquinoline;401567-94-0;4-chloro-1-piperazin-1-ylisoquinoline;SCHEMBL2708438;DTXSID20590610;DB-049539;A824940

Chemical Property of 4-Chloro-1-(piperazin-1-yl)isoquinoline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.636
• Boiling Point: 450.021°C at 760 mmHg
• Flash Point: 225.965°C
• PSA: 28.16000
• Density: 1.257g/cm³
• LogP: 2.69160
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 247.0876252
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

98.5% ^*data from raw suppliers

4-CHLORO-1-(PIPERAZIN-1-YL)ISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NC=C(C3=CC=CC=C32)Cl