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

• ChemBase ID: 101068
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c12c(CN)cccc2CCO1
• Canonical SMILES: NCc1cccc2c1OCC2
• InChI: InChI=1S/C9H11NO/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3H,4-6,10H2
• InChIKey: LNQLTDVDXCZARO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-7-ylmethanamine
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-7-ylmethanamine
• Synonyms: 2,3-dihydro-1-benzofuran-7-ylmethylamine

Database IDs

• CAS Number: 361393-65-9
• MDL Number: MFCD11109312
• PubChem SID: 162086833
• PubChem CID: 23512832

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9213104
• LogD (pH = 7.4): -0.60213023
• Log P: 0.9812315
• Molar Refractivity: 44.3042 cm^3
• Polarizability: 17.248999 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%