2-(dimethoxymethyl)-1H-imidazole

• ChemBase ID: 52855
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: c1c[nH]c(n1)C(OC)OC
• Canonical SMILES: COC(c1ncc[nH]1)OC
• InChI: InChI=1S/C6H10N2O2/c1-9-6(10-2)5-7-3-4-8-5/h3-4,6H,1-2H3,(H,7,8)
• InChIKey: DSSLAGQNEMWAEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethoxymethyl)-1H-imidazole
• IUPAC Traditional name: 2-(dimethoxymethyl)-1H-imidazole
• Synonyms: 2-(Dimethoxymethyl)-1H-imidazole

Database IDs

• CAS Number: 112655-19-3
• MDL Number: MFCD03093091
• PubChem SID: 162057618
• PubChem CID: 11789305

CALCULATED PROPERTIES

• Acid pKa: 11.547365
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 9.485054E-4
• LogD (pH = 7.4): 0.15560085
• Log P: 0.15810579
• Molar Refractivity: 35.8565 cm^3
• Polarizability: 14.0870495 Å^3
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%