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

• ChemBase ID: 309395
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1(c(cnc1)CO)C1CC1
• Canonical SMILES: OCc1cncn1C1CC1
• InChI: InChI=1S/C7H10N2O/c10-4-7-3-8-5-9(7)6-1-2-6/h3,5-6,10H,1-2,4H2
• InChIKey: ACXJTLNSCOMIMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1227465-54-4
• MDL Number: MFCD14702914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.74578446
• LogD (pH = 7.4): -0.32711065
• Log P: -0.30333224
• Molar Refractivity: 37.8141 cm^3
• Polarizability: 14.326395 Å^3
• Polar Surface Area: 38.05 Å^2