3-ethyl-1-methyl-1H-imidazol-3-ium chloride

• ChemBase ID: 798345
• Molecular Formular: C6H11ClN2
• Molecular Mass: 146.61794
• Monoisotopic Mass: 146.06107604
• SMILES: [n+]1(cn(cc1)C)CC.[Cl-]
• Canonical SMILES: CC[n+]1ccn(c1)C.[Cl-]
• InChI: InChI=1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
• InChIKey: BMQZYMYBQZGEEY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1-methyl-1H-imidazol-3-ium chloride
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium chloride
• Synonyms: 1-ethyl-3-methylimidazolium chloride

Database IDs

• CAS Number: 65039-09-0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• Molar Refractivity: 33.6013 cm^3
• Polarizability: 12.755673 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%