[5-(furan-2-yl)furan-2-yl]methanamine

• ChemBase ID: 240350
• Molecular Formular: C9H9NO2
• Molecular Mass: 163.17326
• Monoisotopic Mass: 163.06332853
• SMILES: c1(oc(cc1)CN)c1occc1
• Canonical SMILES: NCc1ccc(o1)c1ccco1
• InChI: InChI=1S/C9H9NO2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
• InChIKey: MORCKEYIAFEMQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(furan-2-yl)furan-2-yl]methanamine
• IUPAC Traditional name: [5-(furan-2-yl)furan-2-yl]methanamine
• Synonyms: [5-(furan-2-yl)furan-2-yl]methanamine

Database IDs

• MDL Number: MFCD22392122
• PubChem SID: 164296260
• PubChem CID: 71756530

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6193979
• LogD (pH = 7.4): 0.073933735
• Log P: 0.78673404
• Molar Refractivity: 44.3269 cm^3
• Polarizability: 18.38761 Å^3
• Polar Surface Area: 52.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.754

Product Information

• Purity: 95%