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

• ChemBase ID: 160533
• Molecular Formular: C8H19NO4
• Molecular Mass: 193.24076
• Monoisotopic Mass: 193.13140809
• SMILES: NCCOCCOCCOCCO
• Canonical SMILES: NCCOCCOCCOCCO
• InChI: InChI=1S/C8H19NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-9H2
• InChIKey: ANOJXMUSDYSKET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethan-1-ol
• IUPAC Traditional name: 2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethanol
• Synonyms: 2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethanol; T4EGMA; Tetraethylene Glycol Monoamine; 1-Amino-3,6,9-trioxaundecanyl-11-ol; 2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethanol

Database IDs

• CAS Number: 86770-74-3
• MDL Number: MFCD01752874
• PubChem SID: 162254668
• PubChem CID: 160103

CALCULATED PROPERTIES

• Acid pKa: 15.121157
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.4395914
• LogD (pH = 7.4): -3.4639032
• Log P: -1.4564874
• Molar Refractivity: 49.3416 cm^3
• Polarizability: 19.74242 Å^3
• Polar Surface Area: 73.94 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere

Product Information

• Purity: 95+%; 97%