4-(oxan-4-yloxy)aniline

• ChemBase ID: 101345
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: O1CCC(Oc2ccc(N)cc2)CC1
• Canonical SMILES: Nc1ccc(cc1)OC1CCOCC1
• InChI: InChI=1S/C11H15NO2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11H,5-8,12H2
• InChIKey: CCIFXNITZHWCRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxan-4-yloxy)aniline
• IUPAC Traditional name: 4-(oxan-4-yloxy)aniline
• Synonyms: 4-(tetrahydropyran-4-yloxy)aniline

Database IDs

• CAS Number: 917483-71-7
• MDL Number: MFCD09064968
• PubChem SID: 162087065
• PubChem CID: 24229526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8167967
• LogD (pH = 7.4): 0.94590956
• Log P: 0.9478347
• Molar Refractivity: 55.6971 cm^3
• Polarizability: 21.313416 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%