Quinpirole

Base Information

• Chemical Name: Quinpirole
• CAS No.: 80373-22-4
• Deprecated CAS: 85760-74-3,99745-17-2
• Molecular Formula: C13H21N3
• Molecular Weight: 219.3259
• UNII: 20OP60125T
• DSSTox Substance ID: DTXSID9048229
• Nikkaji Number: J37.290K,J550.497J
• Wikipedia: Quinpirole
• Wikidata: Q253187
• NCI Thesaurus Code: C152128
• Pharos Ligand ID: 9BX9CGHRB1LD
• ChEMBL ID: CHEMBL240773
• Mol file: 80373-22-4.mol

Synonyms:Quinpirole;Quinpirole Hydrochloride;Quinpirole Monohydrochloride

Chemical Property of Quinpirole

Chemical Property:

• Boiling Point: 383.9°Cat760mmHg
• PKA: 15.40±0.20(Predicted)
• Flash Point: 186°C
• PSA: 31.92000
• Density: 1.07g/cm³
• LogP: 1.93680
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.173547683
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1CCCC2C1CC3=C(C2)NN=C3
• Isomeric SMILES: CCCN1CCC[C@H]2[C@H]1CC3=C(C2)NN=C3

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