2-(furan-2-yl)aniline

• ChemBase ID: 92860
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: Nc1ccccc1c1ccco1
• Canonical SMILES: Nc1ccccc1c1ccco1
• InChI: InChI=1S/C10H9NO/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7H,11H2
• InChIKey: RQBZXUOVNFIZGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 55578-79-5
• MDL Number: MFCD04039070
• PubChem SID: 162079558
• PubChem CID: 4685350

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8504299
• LogD (pH = 7.4): 1.8517747
• Log P: 1.8517919
• Molar Refractivity: 48.2855 cm^3
• Polarizability: 19.331669 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%