1,3-dimethyl-1H-imidazol-3-ium iodide

• ChemBase ID: 798280
• Molecular Formular: C5H9IN2
• Molecular Mass: 224.04283
• Monoisotopic Mass: 223.9810463
• SMILES: [n+]1(cn(cc1)C)C.[I-]
• Canonical SMILES: Cn1cc[n+](c1)C.[I-]
• InChI: InChI=1S/C5H9N2.HI/c1-6-3-4-7(2)5-6;/h3-5H,1-2H3;1H/q+1;/p-1
• InChIKey: ARSMIBSHEYKMJT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-1H-imidazol-3-ium iodide
• IUPAC Traditional name: 1,3-dimethylimidazolium iodide
• Synonyms: 1,3-dimethylimidazolium iodide

Database IDs

• CAS Number: 4333-62-4

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.4698765
• LogD (pH = 7.4): -3.4698765
• Log P: -3.4698765
• Molar Refractivity: 28.8527 cm^3
• Polarizability: 10.914043 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%