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

• ChemBase ID: 279396
• Molecular Formular: C7H11NO2
• Molecular Mass: 141.16774
• Monoisotopic Mass: 141.0789786
• SMILES: c1(C(O)(CN)C)occc1
• Canonical SMILES: NCC(c1ccco1)(O)C
• InChI: InChI=1S/C7H11NO2/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3
• InChIKey: HCEFDRFLECEKNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20441167
• PubChem SID: 164335306
• PubChem CID: 54595271

CALCULATED PROPERTIES

• Acid pKa: 12.996622
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0738869
• LogD (pH = 7.4): -1.7084506
• Log P: -0.19049738
• Molar Refractivity: 37.523 cm^3
• Polarizability: 14.866059 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.15

Product Information

• Purity: 95%