8-(p-tert-Butylbenzyl)atropinium bromide

Base Information

• Chemical Name: 8-(p-tert-Butylbenzyl)atropinium bromide
• CAS No.: 101636-42-4
• Molecular Formula: C28H38 N O3 . Br
• Molecular Weight: 516.5102
• DSSTox Substance ID: DTXSID60906413
• Mol file: 101636-42-4.mol

Synonyms:8-(p-tert-Butylbenzyl)atropinium bromide;N-680;Atropinium, 8-(p-tert-butylbenzyl)-, bromide;1-alpha-H,5-alpha-H-Tropanium, 8-(p-tert-butylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate;101636-42-4;DTXSID60906413;HEEFDDJPKRZTPO-UHFFFAOYSA-M;LS-157819;8-[(4-tert-Butylphenyl)methyl]-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide

Chemical Property of 8-(p-tert-Butylbenzyl)atropinium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 515.20351
• Heavy Atom Count: 33
• Complexity: 613

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]