4-(pyridin-4-yloxy)aniline

• ChemBase ID: 266269
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: n1ccc(Oc2ccc(N)cc2)cc1
• Canonical SMILES: Nc1ccc(cc1)Oc1ccncc1
• InChI: InChI=1S/C11H10N2O/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-8H,12H2
• InChIKey: IHAFMSZIVGDZTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-4-yloxy)aniline
• IUPAC Traditional name: 4-(pyridin-4-yloxy)aniline
• Synonyms: 4-(pyridin-4-yloxy)aniline; 4-(4-Aminophenoxy)pyridine

Database IDs

• CAS Number: 102877-78-1
• MDL Number: MFCD06825431
• PubChem SID: 164322179
• PubChem CID: 11564589

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9315318
• LogD (pH = 7.4): 1.4128313
• Log P: 1.4269346
• Molar Refractivity: 54.8423 cm^3
• Polarizability: 20.89729 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 162°C
• Hydrophobicity(logP): 1.516

Product Information

• Purity: 95%; 95+%; 98%