2,3-dihydro-1-benzofuran-5-amine hydrochloride

• ChemBase ID: 255039
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: c12c(OCC2)ccc(c1)N.Cl
• Canonical SMILES: Nc1ccc2c(c1)CCO2.Cl
• InChI: InChI=1S/C8H9NO.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5H,3-4,9H2;1H
• InChIKey: ATQMKOMGSTWSLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-5-amine hydrochloride
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-5-amine hydrochloride
• Synonyms: 2,3-dihydro-1-benzofuran-5-amine hydrochloride

Database IDs

• MDL Number: MFCD09971390
• PubChem SID: 164310949
• PubChem CID: 24686263

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8617486
• LogD (pH = 7.4): 1.0240148
• Log P: 1.0265371
• Molar Refractivity: 40.5312 cm^3
• Polarizability: 15.01728 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280 - 282°C
• Hydrophobicity(logP): 1.139

Product Information

• Purity: 95%