1-benzofuran-6-amine

• ChemBase ID: 247024
• Molecular Formular: C8H7NO
• Molecular Mass: 133.14728
• Monoisotopic Mass: 133.05276385
• SMILES: c12cc(N)ccc2cco1
• Canonical SMILES: Nc1ccc2c(c1)occ2
• InChI: InChI=1S/C8H7NO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H,9H2
• InChIKey: ARNCZJZLEMLOBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-6-amine
• IUPAC Traditional name: 1-benzofuran-6-amine
• Synonyms: 1-benzofuran-6-amine

Database IDs

• MDL Number: MFCD11110252
• PubChem SID: 164302934
• PubChem CID: 19959504

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3024158
• LogD (pH = 7.4): 1.3034303
• Log P: 1.3034433
• Molar Refractivity: 39.5995 cm^3
• Polarizability: 15.86573 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): 1.475

Product Information

• Purity: 95%