4-Hydroxy-2,3,5,5,6-pentamethyl-1-oxido-2,3-dihydropyrazin-1-ium

Base Information

• Chemical Name: 4-Hydroxy-2,3,5,5,6-pentamethyl-1-oxido-2,3-dihydropyrazin-1-ium
• CAS No.: 118176-36-6
• Molecular Formula: C9H18 N2 O2
• Molecular Weight: 186.25142
• DSSTox Substance ID: DTXSID70553730
• Mol file: 118176-36-6.mol

Synonyms:118176-36-6;4-hydroxy-2,3,5,5,6-pentamethyl-1-oxido-2,3-dihydropyrazin-1-ium;Pyrazine, 1,2,5,6-tetrahydro-1-hydroxy-2,2,3,5,6-pentamethyl-, 4-oxide (9CI);DTXSID70553730;2,3,5,6,6-Pentamethyl-4-oxo-3,6-dihydro-4lambda~5~-pyrazin-1(2H)-ol

Chemical Property of 4-Hydroxy-2,3,5,5,6-pentamethyl-1-oxido-2,3-dihydropyrazin-1-ium

Chemical Property:

• PSA: 52.22000
• LogP: 1.11470
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 186.136827821
• Heavy Atom Count: 13
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C([N+](=C(C(N1O)(C)C)C)[O-])C