1-(furan-2-yl)-2-(morpholin-3-yl)ethan-1-ol

• ChemBase ID: 239107
• Molecular Formular: C10H15NO3
• Molecular Mass: 197.231
• Monoisotopic Mass: 197.10519335
• SMILES: c1(C(CC2NCCOC2)O)occc1
• Canonical SMILES: OC(c1ccco1)CC1COCCN1
• InChI: InChI=1S/C10H15NO3/c12-9(10-2-1-4-14-10)6-8-7-13-5-3-11-8/h1-2,4,8-9,11-12H,3,5-7H2
• InChIKey: RSRQLBAKFRYJDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)-2-(morpholin-3-yl)ethan-1-ol
• IUPAC Traditional name: 1-(furan-2-yl)-2-(morpholin-3-yl)ethanol
• Synonyms: 1-(furan-2-yl)-2-(morpholin-3-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD22378678
• PubChem SID: 164295017
• PubChem CID: 71756332

CALCULATED PROPERTIES

• Acid pKa: 13.369434
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3707528
• LogD (pH = 7.4): -0.6650194
• Log P: -0.13726729
• Molar Refractivity: 51.2695 cm^3
• Polarizability: 20.371677 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): -0.056

Product Information

• Purity: 95%