3-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate

Base Information

• Chemical Name: 3-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate
• CAS No.: 74051-32-4
• Molecular Formula: C19H28 N O3 . Br
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50995492
• Mol file: 74051-32-4.mol

Synonyms:74051-32-4;3-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate;1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-methyl-, bromide, 4-hydroxy-2-phenylbutanoate;DTXSID50995492;LS-157872;3-[(4-Hydroxy-2-phenylbutanoyl)oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium bromide;8-Azoniabicyclo[3.2.1]octane, 3-(4-hydroxy-1-oxo-2-phenylbutoxy)-8,8-dimethyl-, bromide

Chemical Property of 3-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate

Chemical Property:

• PSA: 46.53000
• LogP: -0.57160
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 397.12526
• Heavy Atom Count: 24
• Complexity: 401

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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