4-(2-ethoxyethoxy)aniline hydrochloride

• ChemBase ID: 21503
• Molecular Formular: C10H16ClNO2
• Molecular Mass: 217.69254
• Monoisotopic Mass: 217.08695644
• SMILES: c1(N)ccc(cc1)OCCOCC.Cl
• Canonical SMILES: CCOCCOc1ccc(cc1)N.Cl
• InChI: InChI=1S/C10H15NO2.ClH/c1-2-12-7-8-13-10-5-3-9(11)4-6-10;/h3-6H,2,7-8,11H2,1H3;1H
• InChIKey: FCAOYHARVCDLJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethoxyethoxy)aniline hydrochloride
• IUPAC Traditional name: 4-(2-ethoxyethoxy)aniline hydrochloride
• Synonyms: 4-(2-Ethoxyethoxy)aniline hydrochloride

Database IDs

• MDL Number: MFCD08559353
• PubChem SID: 160984810
• PubChem CID: 16641298

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1772527
• LogD (pH = 7.4): 1.2947541
• Log P: 1.296481
• Molar Refractivity: 53.0137 cm^3
• Polarizability: 20.200104 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false