1-(3-aminopropoxy)-2-methoxyethane

• ChemBase ID: 250176
• Molecular Formular: C6H15NO2
• Molecular Mass: 133.1888
• Monoisotopic Mass: 133.11027873
• SMILES: NCCCOCCOC
• Canonical SMILES: NCCCOCCOC
• InChI: InChI=1S/C6H15NO2/c1-8-5-6-9-4-2-3-7/h2-7H2,1H3
• InChIKey: PWGVOCGNHYMDLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminopropoxy)-2-methoxyethane
• IUPAC Traditional name: 1-(3-aminopropoxy)-2-methoxyethane
• Synonyms: 3-(2-methoxyethoxy)propan-1-amine

Database IDs

• CAS Number: 54303-31-0
• MDL Number: MFCD00014832
• PubChem SID: 164306086
• PubChem CID: 108574

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.68191
• LogD (pH = 7.4): -3.2198458
• Log P: -0.6594501
• Molar Refractivity: 36.8712 cm^3
• Polarizability: 14.696601 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.281

Product Information

• Purity: 95%