1-(2-aminoethoxy)-2-methoxyethane hydrochloride

• ChemBase ID: 256691
• Molecular Formular: C5H14ClNO2
• Molecular Mass: 155.62316
• Monoisotopic Mass: 155.07130637
• SMILES: Cl.NCCOCCOC
• Canonical SMILES: COCCOCCN.Cl
• InChI: InChI=1S/C5H13NO2.ClH/c1-7-4-5-8-3-2-6;/h2-6H2,1H3;1H
• InChIKey: UTEILMBMIJISSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-2-methoxyethane hydrochloride
• IUPAC Traditional name: 1-(2-aminoethoxy)-2-methoxyethane hydrochloride
• Synonyms: 2-(2-methoxyethoxy)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD11099440
• PubChem SID: 164312601
• PubChem CID: 22730345

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): -0.608

Product Information

• Purity: 95%