4-(furan-2-yl)aniline

• ChemBase ID: 88023
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: o1cccc1c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)c1ccco1
• InChI: InChI=1S/C10H9NO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H,11H2
• InChIKey: QSKZDXHSTLCYPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(furan-2-yl)aniline
• IUPAC Traditional name: 4-(furan-2-yl)aniline
• Synonyms: 4-(2-furyl)aniline; 4-(2-Furyl)aniline 97%

Database IDs

• CAS Number: 59147-02-3
• MDL Number: MFCD04039072
• PubChem SID: 162075063
• PubChem CID: 4191105

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8488258
• LogD (pH = 7.4): 1.8517544
• Log P: 1.8517919
• Molar Refractivity: 48.2855 cm^3
• Polarizability: 19.327892 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55.5-57°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%