4-(1H-Imidazol-4-yl-methyl)-isoquinoline

Base Information

• Chemical Name: 4-(1H-Imidazol-4-yl-methyl)-isoquinoline
• CAS No.: 214700-67-1
• Molecular Formula: C13H11N3
• Molecular Weight: 209.25
• DSSTox Substance ID: DTXSID00433399
• Wikidata: Q82247529
• Mol file: 214700-67-1.mol

Synonyms:4-(1H-Imidazol-4-yl-methyl)-isoquinoline;SCHEMBL6216145;DTXSID00433399;KEZAUBUZEJHTRU-UHFFFAOYSA-N;214700-67-1

Chemical Property of 4-(1H-Imidazol-4-yl-methyl)-isoquinoline

Chemical Property:

• Boiling Point: 496.7±25.0 °C(Predicted)
• PKA: 13.94±0.10(Predicted)
• PSA: 41.57000
• Density: 1.247±0.06 g/cm3(Predicted)
• LogP: 2.54870
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.095297364
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

4-(1H-IMIDAZOL-4-YLMETHYL)ISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=NC=C2CC3=CN=CN3