1-(methoxymethyl)-1H-imidazole

• ChemBase ID: 287842
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: COCn1ccnc1
• Canonical SMILES: COCn1cncc1
• InChI: InChI=1S/C5H8N2O/c1-8-5-7-3-2-6-4-7/h2-4H,5H2,1H3
• InChIKey: XJGYZYRJUUMCAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-1H-imidazole
• IUPAC Traditional name: 1-(methoxymethyl)imidazole
• Synonyms: 1-(Methoxymethyl)-1H-imidazole

Database IDs

• CAS Number: 20075-26-7
• MDL Number: MFCD00955700
• PubChem SID: 180673373
• PubChem CID: 88359

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.36009252
• LogD (pH = 7.4): 0.09774712
• Log P: 0.14157729
• Molar Refractivity: 29.7625 cm^3
• Polarizability: 11.527624 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%