2,3-dihydro-1-benzofuran-7-amine

• ChemBase ID: 101069
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: c12OCCc2cccc1N
• Canonical SMILES: Nc1cccc2c1OCC2
• InChI: InChI=1S/C8H9NO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3H,4-5,9H2
• InChIKey: UHHZGSLXPQGPJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-7-amine
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-7-amine
• Synonyms: 2,3-dihydrobenzo[b]furan-7-ylamine

Database IDs

• CAS Number: 13414-56-7
• MDL Number: MFCD11109313
• PubChem SID: 162087869
• PubChem CID: 12805950

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9854381
• LogD (pH = 7.4): 1.0259944
• Log P: 1.0265371
• Molar Refractivity: 40.5312 cm^3
• Polarizability: 15.019398 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%