1-(2-aminoethoxy)-2-methoxyethane

• ChemBase ID: 263856
• Molecular Formular: C5H13NO2
• Molecular Mass: 119.16222
• Monoisotopic Mass: 119.09462866
• SMILES: NCCOCCOC
• Canonical SMILES: COCCOCCN
• InChI: InChI=1S/C5H13NO2/c1-7-4-5-8-3-2-6/h2-6H2,1H3
• InChIKey: QWCGXANSAOXRFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-2-methoxyethane
• IUPAC Traditional name: 1-(2-aminoethoxy)-2-methoxyethane
• Synonyms: 1-(2-aminoethoxy)-2-methoxyethane; 2-(2-Methoxyethoxy)ethanamine

Database IDs

• CAS Number: 31576-51-9
• MDL Number: MFCD09032941
• PubChem SID: 164319766
• PubChem CID: 520530

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.702514
• LogD (pH = 7.4): -2.7268257
• Log P: -0.7194099
• Molar Refractivity: 32.0058 cm^3
• Polarizability: 12.860454 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.668

Product Information

• Purity: 95%; 95+%