2-[(furan-2-ylmethyl)amino]ethan-1-ol

• ChemBase ID: 312681
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: c1(occc1)CNCCO
• Canonical SMILES: OCCNCc1ccco1
• InChI: InChI=1S/C7H11NO2/c9-4-3-8-6-7-2-1-5-10-7/h1-2,5,8-9H,3-4,6H2
• InChIKey: PERSIOJMHRGFFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(furan-2-ylmethyl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(furan-2-ylmethyl)amino]ethanol
• Synonyms: 2-[(2-furylmethyl)amino]ethanol

Database IDs

• CAS Number: 4439-22-9
• MDL Number: MFCD07410475

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4450297
• LogD (pH = 7.4): -0.71979046
• Log P: -0.09826072
• Molar Refractivity: 37.9892 cm^3
• Polarizability: 14.868218 Å^3
• Polar Surface Area: 45.4 Å^2