4-{[5-(4-aminophenoxy)pentyl]oxy}aniline

• ChemBase ID: 295701
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: c1cc(ccc1N)OCCCCCOc1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)OCCCCCOc1ccc(cc1)N
• InChI: InChI=1S/C17H22N2O2/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11H,1-3,12-13,18-19H2
• InChIKey: SLHXQWDUYXSTPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[5-(4-aminophenoxy)pentyl]oxy}aniline
• IUPAC Traditional name: 4-{[5-(4-aminophenoxy)pentyl]oxy}aniline
• Synonyms: 1,5-Bis(4-aminophenoxy)pentane; 1,5-双(4-氨苯氧基)戊烷

Database IDs

• CAS Number: 2391-56-2
• MDL Number: MFCD01632139
• PubChem SID: 180681232
• PubChem CID: 14173

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5343053
• LogD (pH = 7.4): 2.8193414
• Log P: 2.8236632
• Molar Refractivity: 86.5852 cm^3
• Polarizability: 32.768677 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%