Benzoctamine hydrochloride

Base Information

• Chemical Name: Benzoctamine hydrochloride
• CAS No.: 10085-81-1
• Molecular Formula: C₁₈H₁₉N*ClH
• Molecular Weight: 285.817
• European Community (EC) Number: 233-216-0
• UNII: 1C280S920Q
• DSSTox Substance ID: DTXSID60143543
• Wikidata: Q27252217
• NCI Thesaurus Code: C83546
• ChEMBL ID: CHEMBL2104106
• Mol file: 10085-81-1.mol

Synonyms:benzoctamine;benzoctamine hydrochloride;benzoctamine methanesulfonate

Chemical Property of Benzoctamine hydrochloride

Chemical Property:

• Vapor Pressure: 9.91E-06mmHg at 25°C
• Melting Point: 320-322°
• Boiling Point: 372°Cat760mmHg
• PKA: 7.6(at 25℃)
• Flash Point: 181.1°C
• PSA: 12.03000
• Density: g/cm³
• LogP: 4.62410
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 285.1284273
• Heavy Atom Count: 20
• Complexity: 313

Purity/Quality:

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

BenzoctamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl
• Uses: Anxiolytic.
• Therapeutic Function: Sedative, Muscle relaxant