Pentolinium

Base Information

• Chemical Name: Pentolinium
• CAS No.: 144-44-5
• Molecular Formula: C15H32 N2
• Molecular Weight: 240.4269
• UNII: ULL76WPU5X
• DSSTox Substance ID: DTXSID5048554
• Nikkaji Number: J5.828I
• Wikipedia: Pentolinium
• Wikidata: Q7165260
• NCI Thesaurus Code: C77367
• Pharos Ligand ID: QYLCN6RW2R5U
• Metabolomics Workbench ID: 43322
• ChEMBL ID: CHEMBL1271
• Mol file: 144-44-5.mol

Synonyms:Pentolinium;Pentolinium Tartrate;Pentolonium Tartrate;Tartrate, Pentolinium;Tartrate, Pentolonium

Chemical Property of Pentolinium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 2.55510
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 240.256549029
• Heavy Atom Count: 17
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

PENTOLINIUM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C