2-(oxan-4-yloxy)pyridine-4-carboximidamide hydrochloride

• ChemBase ID: 238419
• Molecular Formular: C11H16ClN3O2
• Molecular Mass: 257.71664
• Monoisotopic Mass: 257.09310445
• SMILES: C(=N)(c1cc(ncc1)OC1CCOCC1)N.Cl
• Canonical SMILES: NC(=N)c1ccnc(c1)OC1CCOCC1.Cl
• InChI: InChI=1S/C11H15N3O2.ClH/c12-11(13)8-1-4-14-10(7-8)16-9-2-5-15-6-3-9;/h1,4,7,9H,2-3,5-6H2,(H3,12,13);1H
• InChIKey: CAZGPFIEABYYMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22375388
• PubChem SID: 164294329
• PubChem CID: 71756168

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.3399215
• LogD (pH = 7.4): -2.234637
• Log P: 0.074014224
• Molar Refractivity: 70.8258 cm^3
• Polarizability: 22.991491 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.113

Product Information

• Purity: 95%