8-Butyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide benzilate

Base Information

• Chemical Name: 8-Butyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide benzilate
• CAS No.: 73954-05-9
• Molecular Formula: C26H34 N O3 . Br
• Molecular Weight: 488.463
• DSSTox Substance ID: DTXSID20995186
• Mol file: 73954-05-9.mol

Synonyms:73954-05-9;8-Butyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide benzilate;1-alpha-H,5-alpha-H-Tropanium, 8-butyl-3-hydroxy-, bromide, benzilate;DTXSID20995186;8-Azoniabicyclo[3.2.1]octane, 8-butyl-3-[(hydroxydiphenylacetyl)oxy]-8-methyl-, bromide;LS-157823;8-Butyl-3-{[hydroxy(diphenyl)acetyl]oxy}-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide

Chemical Property of 8-Butyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide benzilate

Chemical Property:

• PSA: 46.53000
• LogP: 1.36860
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 487.17221
• Heavy Atom Count: 31
• Complexity: 547

Purity/Quality:

8-BUTYL-3-HYDROXY-1-ALPHA-H,5-ALPHA-H-TROPANIUM BROMIDE BENZILATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-]