2-[2-(2-aminoethoxy)ethoxy]ethan-1-ol

• ChemBase ID: 294164
• Molecular Formular: C6H15NO3
• Molecular Mass: 149.1882
• Monoisotopic Mass: 149.10519335
• SMILES: NCCOCCOCCO
• Canonical SMILES: NCCOCCOCCO
• InChI: InChI=1S/C6H15NO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-7H2
• InChIKey: ASDQMECUMYIVBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-aminoethoxy)ethoxy]ethan-1-ol
• IUPAC Traditional name: 2-[2-(2-aminoethoxy)ethoxy]ethanol
• Synonyms: 2-(2-(2-Aminoethoxy)ethoxy)ethanol; 2-[2-(2-AMINOETHOXY)ETHOXY]ETHANOL

Database IDs

• CAS Number: 6338-55-2
• MDL Number: MFCD07367495
• PubChem SID: 180679695
• PubChem CID: 95875

CALCULATED PROPERTIES

• Acid pKa: 15.121157
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.392616
• LogD (pH = 7.4): -3.4169276
• Log P: -1.4095119
• Molar Refractivity: 38.2981 cm^3
• Polarizability: 15.349859 Å^3
• Polar Surface Area: 64.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%