1-[2-(2-aminoethoxy)ethoxy]-2-methoxyethane

• ChemBase ID: 288464
• Molecular Formular: C7H17NO3
• Molecular Mass: 163.21478
• Monoisotopic Mass: 163.12084341
• SMILES: COCCOCCOCCN
• Canonical SMILES: COCCOCCOCCN
• InChI: InChI=1S/C7H17NO3/c1-9-4-5-11-7-6-10-3-2-8/h2-8H2,1H3
• InChIKey: OKUWOEKJQRUMBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-aminoethoxy)ethoxy]-2-methoxyethane
• IUPAC Traditional name: 1-[2-(2-aminoethoxy)ethoxy]-2-methoxyethane
• Synonyms: 2-(2-(2-Methoxyethoxy)ethoxy)ethanamine

Database IDs

• CAS Number: 74654-07-2
• PubChem SID: 180673995
• PubChem CID: 3018531

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.7494893
• LogD (pH = 7.4): -2.773801
• Log P: -0.7663854
• Molar Refractivity: 43.0493 cm^3
• Polarizability: 17.250196 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%