1-benzofuran-2-ylmethanamine hydrochloride

• ChemBase ID: 258448
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• SMILES: o1c(cc2c1cccc2)CN.Cl
• Canonical SMILES: NCc1cc2c(o1)cccc2.Cl
• InChI: InChI=1S/C9H9NO.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-5H,6,10H2;1H
• InChIKey: ORSCEBONMBYAHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-2-ylmethanamine hydrochloride
• IUPAC Traditional name: 1-benzofuran-2-ylmethanamine hydrochloride
• Synonyms: 1-(1-benzofuran-2-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD11814080
• PubChem SID: 164314358
• PubChem CID: 22467483

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2168152
• LogD (pH = 7.4): 0.47704226
• Log P: 1.1781387
• Molar Refractivity: 43.25 cm^3
• Polarizability: 18.1242 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 1.654

Product Information

• Purity: 95%