Benzquinamide hydrochloride

Base Information

• Chemical Name: Benzquinamide hydrochloride
• CAS No.: 113-69-9
• Molecular Formula: C22H32 N2 O5 . Cl H
• Molecular Weight: 441.02
• European Community (EC) Number: 204-033-3
• DSSTox Substance ID: DTXSID70920968
• Wikidata: Q27256123
• NCI Thesaurus Code: C77569
• ChEMBL ID: CHEMBL1200707
• Mol file: 113-69-9.mol

Synonyms:benzquinamide;benzquinamide hydrochloride;benzquinamide, (2alpha,3beta,11balpha)-isomer;Emite-con

Chemical Property of Benzquinamide hydrochloride

Chemical Property:

• Vapor Pressure: 2.33E-11mmHg at 25°C
• Boiling Point: 531°Cat760mmHg
• Flash Point: 274.9°C
• PSA: 68.31000
• Density: g/cm³
• LogP: 3.16290
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 440.2077999
• Heavy Atom Count: 30
• Complexity: 582

Purity/Quality:

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

BenzquinamideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C)OC)OC.Cl
• Uses: Antipsychotic; antiemetic.