4-(4-ethoxyphenoxy)aniline hydrochloride

• ChemBase ID: 232099
• Molecular Formular: C14H16ClNO2
• Molecular Mass: 265.73534
• Monoisotopic Mass: 265.08695644
• SMILES: O(c1ccc(cc1)OCC)c1ccc(N)cc1.Cl
• Canonical SMILES: CCOc1ccc(cc1)Oc1ccc(cc1)N.Cl
• InChI: InChI=1S/C14H15NO2.ClH/c1-2-16-12-7-9-14(10-8-12)17-13-5-3-11(15)4-6-13;/h3-10H,2,15H2,1H3;1H
• InChIKey: UEIGNYAEASJHCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethoxyphenoxy)aniline hydrochloride
• IUPAC Traditional name: 4-(4-ethoxyphenoxy)aniline hydrochloride
• Synonyms: 4-(4-ethoxyphenoxy)aniline hydrochloride

Database IDs

• CAS Number: 51690-67-6
• MDL Number: MFCD07284192
• PubChem SID: 164288009
• PubChem CID: 18778052

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8214743
• LogD (pH = 7.4): 2.843456
• Log P: 2.8437438
• Molar Refractivity: 68.211 cm^3
• Polarizability: 26.159697 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): 3.461

Product Information

• Purity: 95%
• Salt Data: HCl