1-(2-aminopropoxy)-2-methoxyethane hydrochloride

• ChemBase ID: 279446
• Molecular Formular: C6H16ClNO2
• Molecular Mass: 169.64974
• Monoisotopic Mass: 169.08695644
• SMILES: Cl.NC(COCCOC)C
• Canonical SMILES: COCCOCC(N)C.Cl
• InChI: InChI=1S/C6H15NO2.ClH/c1-6(7)5-9-4-3-8-2;/h6H,3-5,7H2,1-2H3;1H
• InChIKey: MHVPUNGIRVPZOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopropoxy)-2-methoxyethane hydrochloride
• IUPAC Traditional name: 1-(2-aminopropoxy)-2-methoxyethane hydrochloride
• Synonyms: 1-(2-aminopropoxy)-2-methoxyethane hydrochloride

Database IDs

• MDL Number: MFCD20441548
• PubChem SID: 164335356
• PubChem CID: 54595294

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3063664
• LogD (pH = 7.4): -2.5183039
• Log P: -0.30283487
• Molar Refractivity: 36.4246 cm^3
• Polarizability: 14.696601 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.359

Product Information

• Purity: 95%