4-(cyclopentyloxy)aniline

• ChemBase ID: 18350
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: O(c1ccc(N)cc1)C1CCCC1
• Canonical SMILES: Nc1ccc(cc1)OC1CCCC1
• InChI: InChI=1S/C11H15NO/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4,12H2
• InChIKey: BYQMUVAEWOWYTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentyloxy)aniline
• IUPAC Traditional name: 4-(cyclopentyloxy)aniline
• Synonyms: 4-Cyclopentyloxy-phenylamine; 4-(cyclopentyloxy)aniline

Database IDs

• CAS Number: 26455-36-7
• MDL Number: MFCD00019279
• PubChem SID: 160981657
• PubChem CID: 6484448

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1928167
• LogD (pH = 7.4): 2.3391216
• Log P: 2.3413506
• Molar Refractivity: 53.6348 cm^3
• Polarizability: 20.628288 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.476

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%