(5-phenylfuran-2-yl)methanamine

• ChemBase ID: 261028
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1(oc(cc1)CN)c1ccccc1
• Canonical SMILES: NCc1ccc(o1)c1ccccc1
• InChI: InChI=1S/C11H11NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2
• InChIKey: HQHHWOJYOUTZHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-phenylfuran-2-yl)methanamine
• IUPAC Traditional name: (5-phenylfuran-2-yl)methanamine
• Synonyms: (5-phenylfuran-2-yl)methanamine; 1-(5-phenyl-2-furyl)methanamine

Database IDs

• CAS Number: 39170-18-8
• MDL Number: MFCD01930232
• PubChem SID: 164316938
• PubChem CID: 11993871

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.71953684
• LogD (pH = 7.4): 0.9705195
• Log P: 1.7264874
• Molar Refractivity: 51.936 cm^3
• Polarizability: 21.586153 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 2.368

Product Information

• Purity: 95%