2-[(2-methoxyethyl)amino]ethan-1-ol

• ChemBase ID: 269296
• Molecular Formular: C5H13NO2
• Molecular Mass: 119.16222
• Monoisotopic Mass: 119.09462866
• SMILES: N(CCO)CCOC
• Canonical SMILES: COCCNCCO
• InChI: InChI=1S/C5H13NO2/c1-8-5-3-6-2-4-7/h6-7H,2-5H2,1H3
• InChIKey: FRGGNTDUBQNZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methoxyethyl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(2-methoxyethyl)amino]ethanol
• Synonyms: 2-[(2-methoxyethyl)amino]ethan-1-ol

Database IDs

• MDL Number: MFCD00191250
• PubChem SID: 164325206
• PubChem CID: 20441436

CALCULATED PROPERTIES

• Acid pKa: 15.602073
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0324326
• LogD (pH = 7.4): -2.6863124
• Log P: -0.929956
• Molar Refractivity: 32.0292 cm^3
• Polarizability: 12.789923 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.7

Product Information

• Purity: 95%