2,3-dihydro-1-benzofuran-4-amine

• ChemBase ID: 294119
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: Nc1c2CCOc2ccc1
• Canonical SMILES: Nc1cccc2c1CCO2
• InChI: InChI=1S/C8H9NO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3H,4-5,9H2
• InChIKey: RWPLKRGISDOAAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-4-amine
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-4-amine
• Synonyms: 2,3-Dihydrobenzofuran-4-amine

Database IDs

• CAS Number: 61090-37-7
• PubChem SID: 180679650
• PubChem CID: 11701043

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0206709
• LogD (pH = 7.4): 1.0264628
• Log P: 1.0265371
• Molar Refractivity: 40.5312 cm^3
• Polarizability: 15.018492 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%