Pentolinium tartrate

Base Information

• Chemical Name: Pentolinium tartrate
• CAS No.: 52-62-0
• Deprecated CAS: 56614-93-8
• Molecular Formula: C15H32N2•2C4H5O6
• Molecular Weight: 538.67
• Hs Code.: 2933990090
• European Community (EC) Number: 200-146-7
• UNII: 953357GACY
• Wikidata: Q27124229
• NCI Thesaurus Code: C66345
• ChEMBL ID: CHEMBL1318287
• Mol file: 52-62-0.mol

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

Chemical Property of Pentolinium tartrate

Chemical Property:

• Melting Point: 215 °C
• Refractive Index: 1.6300 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 235.78000
• Density: g/cm³
• LogP: -4.35950
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 538.27377478
• Heavy Atom Count: 37
• Complexity: 347

Purity/Quality:

98%,99%, ^*data from raw suppliers

PENTOLINIUM TARTRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C.C(C(C(=O)[O-])O)(C(=O)O)O.C(C(C(=O)[O-])O)(C(=O)O)O
• Isomeric SMILES: C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O
• Uses: Antihypertensor;Glanglionic blocking agent