(1-ethyl-1H-imidazol-5-yl)methanol

• ChemBase ID: 307508
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1(c(cnc1)CO)CC
• Canonical SMILES: OCc1cncn1CC
• InChI: InChI=1S/C6H10N2O/c1-2-8-5-7-3-6(8)4-9/h3,5,9H,2,4H2,1H3
• InChIKey: FRNCAMZAPFINSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethyl-1H-imidazol-5-yl)methanol
• IUPAC Traditional name: (3-ethylimidazol-4-yl)methanol
• Synonyms: (1-ethyl-1H-imidazol-5-yl)methanol

Database IDs

• CAS Number: 215872-62-1
• MDL Number: MFCD04114647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.86198455
• LogD (pH = 7.4): -0.43751347
• Log P: -0.41208884
• Molar Refractivity: 35.3515 cm^3
• Polarizability: 13.210848 Å^3
• Polar Surface Area: 38.05 Å^2