4-ethoxy-3-methoxyaniline hydrochloride

• ChemBase ID: 242591
• Molecular Formular: C9H14ClNO2
• Molecular Mass: 203.66596
• Monoisotopic Mass: 203.07130637
• SMILES: c1(cc(N)ccc1OCC)OC.Cl
• Canonical SMILES: CCOc1ccc(cc1OC)N.Cl
• InChI: InChI=1S/C9H13NO2.ClH/c1-3-12-8-5-4-7(10)6-9(8)11-2;/h4-6H,3,10H2,1-2H3;1H
• InChIKey: JINUQAYGBKBCCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-3-methoxyaniline hydrochloride
• IUPAC Traditional name: 4-ethoxy-3-methoxyaniline hydrochloride
• Synonyms: 4-ethoxy-3-methoxyaniline hydrochloride

Database IDs

• CAS Number: 19782-77-5
• MDL Number: MFCD07288573
• PubChem SID: 164298501
• PubChem CID: 16195896

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1246281
• LogD (pH = 7.4): 1.1849586
• Log P: 1.1857853
• Molar Refractivity: 48.4334 cm^3
• Polarizability: 18.34459 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 1.213

Product Information

• Purity: 95%
• Salt Data: HCl