4-(oxolan-3-yloxy)aniline

• ChemBase ID: 277961
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: O1CCC(Oc2ccc(N)cc2)C1
• Canonical SMILES: Nc1ccc(cc1)OC1COCC1
• InChI: InChI=1S/C10H13NO2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10H,5-7,11H2
• InChIKey: KYHZUDAETBCVKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxolan-3-yloxy)aniline
• IUPAC Traditional name: 4-(oxolan-3-yloxy)aniline
• Synonyms: 4-(oxolan-3-yloxy)aniline

Database IDs

• MDL Number: MFCD18364532
• PubChem SID: 164333871
• PubChem CID: 53621862

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.76557326
• LogD (pH = 7.4): 0.88609695
• Log P: 0.88787496
• Molar Refractivity: 50.8317 cm^3
• Polarizability: 19.47297 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.75

Product Information

• Purity: 95%