3-alpha-Tropanyl-(2-Cl)-acid phenoxybutyrate

Base Information

• Chemical Name: 3-alpha-Tropanyl-(2-Cl)-acid phenoxybutyrate
• CAS No.: 155156-22-2
• Molecular Formula: C22H28ClNO7
• Molecular Weight: 453.91322
• Mol file: 155156-22-2.mol

Synonyms:3-alpha-tropanyl-(2-Cl)-acid phenoxybutyrate;SM 21;SM 21 maleate salt, (3(S)-endo)-isomer;SM(21);SM-21

Chemical Property of 3-alpha-Tropanyl-(2-Cl)-acid phenoxybutyrate

Chemical Property:

• Vapor Pressure: 1.97E-07mmHg at 25°C
• Boiling Point: 425°Cat760mmHg
• Flash Point: 210.9°C
• PSA: 113.37000
• Density: g/cm³
• LogP: 3.31550
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 453.1554299
• Heavy Atom Count: 31
• Complexity: 516

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC[C@H](C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O

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