2-(4-ethoxyphenoxy)pyridine-4-carboximidamide hydrochloride

• ChemBase ID: 265284
• Molecular Formular: C14H16ClN3O2
• Molecular Mass: 293.74874
• Monoisotopic Mass: 293.09310445
• SMILES: C(=N)(c1cc(ncc1)Oc1ccc(cc1)OCC)N.Cl
• Canonical SMILES: CCOc1ccc(cc1)Oc1nccc(c1)C(=N)N.Cl
• InChI: InChI=1S/C14H15N3O2.ClH/c1-2-18-11-3-5-12(6-4-11)19-13-9-10(14(15)16)7-8-17-13;/h3-9H,2H2,1H3,(H3,15,16);1H
• InChIKey: IBHMGYLPUSQNOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenoxy)pyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: 2-(4-ethoxyphenoxy)pyridine-4-carboximidamide hydrochloride
• Synonyms: 2-(4-ethoxyphenoxy)pyridine-4-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD14705722
• PubChem SID: 164321194
• PubChem CID: 47002366

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.4437253
• LogD (pH = 7.4): -0.32123566
• Log P: 1.9699233
• Molar Refractivity: 83.3397 cm^3
• Polarizability: 27.809267 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187 - 189°C
• Hydrophobicity(logP): 2.219

Product Information

• Purity: 95%