2-(oxan-4-yloxy)aniline

• ChemBase ID: 89641
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: Nc1c(cccc1)OC1CCOCC1
• Canonical SMILES: Nc1ccccc1OC1CCOCC1
• InChI: InChI=1S/C11H15NO2/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9H,5-8,12H2
• InChIKey: CLGPZXHLRKSEDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxan-4-yloxy)aniline
• IUPAC Traditional name: 2-(oxan-4-yloxy)aniline
• Synonyms: 2-(tetrahydropyran-4-yloxy)aniline; 4-(2-Aminophenoxy)tetrahydro-2H-pyran; 2-[(Tetrahydro-2H-pyran-4-yl)oxy]aniline 95%

Database IDs

• CAS Number: 898289-35-5
• MDL Number: MFCD09025872
• PubChem SID: 162076504
• PubChem CID: 24229516

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9181734
• LogD (pH = 7.4): 0.94744825
• Log P: 0.9478347
• Molar Refractivity: 55.6971 cm^3
• Polarizability: 21.315542 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-60.5°C

Safety Information

• Storage Warning: Toxic/Harmful

Product Information

• Purity: 95%