1-benzofuran-5-amine

• ChemBase ID: 92598
• Molecular Formular: C8H7NO
• Molecular Mass: 133.14728
• Monoisotopic Mass: 133.05276385
• SMILES: o1c2c(cc(cc2)N)cc1
• Canonical SMILES: Nc1ccc2c(c1)cco2
• InChI: InChI=1S/C8H7NO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2
• InChIKey: GMOLCSICTCPZCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-5-amine
• IUPAC Traditional name: 1-benzofuran-5-amine
• Synonyms: 1-benzofuran-5-amine; 1-Benzofuran-5-amine; Benzo[b]furan-5-amine; 5-Aminobenzo[b]furan 97%

Database IDs

• CAS Number: 58546-89-7
• MDL Number: MFCD04125391
• PubChem SID: 162079296
• PubChem CID: 1477152

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.299554
• LogD (pH = 7.4): 1.3033941
• Log P: 1.3034433
• Molar Refractivity: 39.5995 cm^3
• Polarizability: 15.868421 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%; 98%