(8alpha,9R)-1'-Benzyl-9-hydroxy-6'-methoxycinchonanium chloride

Base Information

• Chemical Name: (8alpha,9R)-1'-Benzyl-9-hydroxy-6'-methoxycinchonanium chloride
• CAS No.: 60990-88-7
• Molecular Formula: C27H31 N2 O2 . Cl
• Molecular Weight: 451.00024
• European Community (EC) Number: 262-549-4
• DSSTox Substance ID: DTXSID70976465
• Mol file: 60990-88-7.mol

Synonyms:EINECS 262-549-4;60990-88-7;(8alpha,9R)-1'-Benzyl-9-hydroxy-6'-methoxycinchonanium chloride;C27H31N2O2.Cl;DTXSID70976465;C27-H31-N2-O2.Cl;1'-Benzyl-9-hydroxy-6'-methoxycinchonan-1'-ium chloride

Chemical Property of (8alpha,9R)-1'-Benzyl-9-hydroxy-6'-methoxycinchonanium chloride

Chemical Property:

• PSA: 36.58000
• LogP: 1.05590
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 450.2074059
• Heavy Atom Count: 32
• Complexity: 606

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C[N+](=C2C=C1)CC3=CC=CC=C3)C(C4CC5CCN4CC5C=C)O.[Cl-]