1-benzofuran-2-carboximidamide hydrochloride

• ChemBase ID: 278982
• Molecular Formular: C9H9ClN2O
• Molecular Mass: 196.63356
• Monoisotopic Mass: 196.0403406
• SMILES: c1(oc2c(c1)cccc2)C(=N)N.Cl
• Canonical SMILES: NC(=N)c1cc2c(o1)cccc2.Cl
• InChI: InChI=1S/C9H8N2O.ClH/c10-9(11)8-5-6-3-1-2-4-7(6)12-8;/h1-5H,(H3,10,11);1H
• InChIKey: DTRNSGDRJUUYDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-2-carboximidamide hydrochloride
• IUPAC Traditional name: 1-benzofuran-2-carboximidamide hydrochloride
• Synonyms: 1-benzofuran-2-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD19981457
• PubChem SID: 164334892
• PubChem CID: 12285606

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.44191185
• LogD (pH = 7.4): 0.8432641
• Log P: 0.9728388
• Molar Refractivity: 56.4491 cm^3
• Polarizability: 18.41409 Å^3
• Polar Surface Area: 63.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212°C
• Hydrophobicity(logP): 1.205

Product Information

• Purity: 95%