Trimethylenedioxy-3,3'-bis(N-methylpyridinium-2-aldoxime)

Base Information

• Chemical Name: Trimethylenedioxy-3,3'-bis(N-methylpyridinium-2-aldoxime)
• CAS No.: 135221-03-3
• Molecular Formula: C17H22 N4 O4 . 2 I
• Molecular Weight: 600.18992
• Mol file: 135221-03-3.mol

Synonyms:R 665;R-665;R665;trimethylenedioxy-3,3'-bis(N-methylpyridinium-2-aldoxime)

Chemical Property of Trimethylenedioxy-3,3'-bis(N-methylpyridinium-2-aldoxime)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 97.06000
• Density: g/cm³
• LogP: 3.24310
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 599.97305
• Heavy Atom Count: 27
• Complexity: 372

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)CC=NO)OCCCOC2=C[N+](=CC=C2)CC=NO.[I-].[I-]
• Isomeric SMILES: C1=CC(=C[N+](=C1)C/C=N/O)OCCCOC2=C[N+](=CC=C2)C/C=N/O.[I-].[I-]