2-amino-2-(furan-2-yl)ethan-1-ol

• ChemBase ID: 284709
• Molecular Formular: C6H9NO2
• Molecular Mass: 127.14116
• Monoisotopic Mass: 127.06332853
• SMILES: c1(occc1)C(N)CO
• Canonical SMILES: OCC(c1ccco1)N
• InChI: InChI=1S/C6H9NO2/c7-5(4-8)6-2-1-3-9-6/h1-3,5,8H,4,7H2
• InChIKey: LRKBGEPUMHLXRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16300705
• PubChem SID: 180670240
• PubChem CID: 54048773

CALCULATED PROPERTIES

• Acid pKa: 14.774488
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6848216
• LogD (pH = 7.4): -1.0031806
• Log P: -0.47107404
• Molar Refractivity: 32.8848 cm^3
• Polarizability: 13.033643 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.631

Product Information

• Purity: 95%