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

• ChemBase ID: 92873
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: o1c(ccc1)c1ccccc1CN
• Canonical SMILES: NCc1ccccc1c1ccco1
• InChI: InChI=1S/C11H11NO/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7H,8,12H2
• InChIKey: KUTREPQQCILHIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(furan-2-yl)phenyl]methanamine
• IUPAC Traditional name: [2-(furan-2-yl)phenyl]methanamine
• Synonyms: [2-(2-furyl)phenyl]methylamine; [2-(2-Furyl)phenyl]methylamine 97%

Database IDs

• CAS Number: 771573-25-2
• MDL Number: MFCD06213664
• PubChem SID: 162079571
• PubChem CID: 18525791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1907842
• LogD (pH = 7.4): -0.33497846
• Log P: 1.8064862
• Molar Refractivity: 52.0585 cm^3
• Polarizability: 21.585794 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%