4,5,6,7-tetrahydro-1-benzofuran-4-amine

• ChemBase ID: 254890
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c12c(occ1)CCCC2N
• Canonical SMILES: NC1CCCc2c1cco2
• InChI: InChI=1S/C8H11NO/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2
• InChIKey: UDDVUZXMEMNBBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5,6,7-tetrahydro-1-benzofuran-4-amine
• IUPAC Traditional name: 4,5,6,7-tetrahydro-1-benzofuran-4-amine
• Synonyms: 4,5,6,7-tetrahydro-1-benzofuran-4-amine

Database IDs

• MDL Number: MFCD09039898
• PubChem SID: 164310800
• PubChem CID: 18525171

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9569973
• LogD (pH = 7.4): -0.79335797
• Log P: 0.9921463
• Molar Refractivity: 39.2581 cm^3
• Polarizability: 15.2722 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.243

Product Information

• Purity: 95%