Penthienate

Base Information

• Chemical Name: Penthienate
• CAS No.: 22064-27-3
• Molecular Formula: C18H30 N O3 S
• Molecular Weight: 0
• UNII: 6LCT38OJV9
• DSSTox Substance ID: DTXSID80871533
• Nikkaji Number: J12.624A
• Wikipedia: Penthienate
• Wikidata: Q15409352
• Metabolomics Workbench ID: 154482
• ChEMBL ID: CHEMBL2110700
• Mol file: 22064-27-3.mol

Synonyms:2-((cyclopentylhydroxy-2-thienylacetyl)oxy)-N,N-diethyl-N-methylethanaminium;penthienate;penthienate bromide

Chemical Property of Penthienate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 74.77000
• Density: g/cm³
• LogP: 3.15550
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 340.19463999
• Heavy Atom Count: 23
• Complexity: 394

Purity/Quality:

PENTHIENATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)(C2=CC=CS2)O