4-[2-(2-methoxyethoxy)ethoxy]aniline

• ChemBase ID: 20109
• Molecular Formular: C11H17NO3
• Molecular Mass: 211.25758
• Monoisotopic Mass: 211.12084341
• SMILES: c1(N)ccc(cc1)OCCOCCOC
• Canonical SMILES: COCCOCCOc1ccc(cc1)N
• InChI: InChI=1S/C11H17NO3/c1-13-6-7-14-8-9-15-11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
• InChIKey: IWXQVPLYQQTJTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-methoxyethoxy)ethoxy]aniline
• IUPAC Traditional name: 4-[2-(2-methoxyethoxy)ethoxy]aniline
• Synonyms: 4-[2-(2-Methoxyethoxy)ethoxy]phenylamine

Database IDs

• CAS Number: 65673-48-5
• MDL Number: MFCD00047855
• PubChem SID: 160983416
• PubChem CID: 572940

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.77346927
• LogD (pH = 7.4): 0.89097065
• Log P: 0.8926976
• Molar Refractivity: 59.3086 cm^3
• Polarizability: 22.741417 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false