2-[(4-methoxyphenyl)methoxy]pyridine-4-carboximidamide hydrochloride

• ChemBase ID: 265385
• Molecular Formular: C14H16ClN3O2
• Molecular Mass: 293.74874
• Monoisotopic Mass: 293.09310445
• SMILES: C(=N)(c1cc(ncc1)OCc1ccc(cc1)OC)N.Cl
• Canonical SMILES: COc1ccc(cc1)COc1nccc(c1)C(=N)N.Cl
• InChI: InChI=1S/C14H15N3O2.ClH/c1-18-12-4-2-10(3-5-12)9-19-13-8-11(14(15)16)6-7-17-13;/h2-8H,9H2,1H3,(H3,15,16);1H
• InChIKey: ZMBLGGOQVBKMFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-methoxyphenyl)methoxy]pyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: 2-[(4-methoxyphenyl)methoxy]pyridine-4-carboximidamide hydrochloride
• Synonyms: 2-[(4-methoxyphenyl)methoxy]pyridine-4-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD14705741
• PubChem SID: 164321295
• PubChem CID: 47002390

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.73429984
• LogD (pH = 7.4): -0.6286601
• Log P: 1.6796299
• Molar Refractivity: 83.4261 cm^3
• Polarizability: 27.74936 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 1.768

Product Information

• Purity: 95%