2-(2-methoxyethoxy)aniline

• ChemBase ID: 18125
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1(c(OCCOC)cccc1)N
• Canonical SMILES: COCCOc1ccccc1N
• InChI: InChI=1S/C9H13NO2/c1-11-6-7-12-9-5-3-2-4-8(9)10/h2-5H,6-7,10H2,1H3
• InChIKey: GGVZNGYEHJHVMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)aniline
• IUPAC Traditional name: 2-(2-methoxyethoxy)aniline
• Synonyms: 2-(2-methoxyethoxy)aniline; 2-(2-Methoxy-ethoxy)-phenylamine; 2-(2-Methoxyethoxy)aniline

Database IDs

• CAS Number: 72806-66-7
• MDL Number: MFCD08144123
• PubChem SID: 160981432
• PubChem CID: 3018371

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.90900224
• LogD (pH = 7.4): 0.939273
• Log P: 0.93967307
• Molar Refractivity: 48.2651 cm^3
• Polarizability: 18.361294 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.074

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C9H13NO2

DETAILS

Sigma Aldrich - CBR00261

Other Notes
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Legal Information
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