3-(2-methoxyethoxy)azetidine hydrochloride

• ChemBase ID: 285423
• Molecular Formular: C6H14ClNO2
• Molecular Mass: 167.63386
• Monoisotopic Mass: 167.07130637
• SMILES: N1CC(C1)OCCOC.Cl
• Canonical SMILES: COCCOC1CNC1.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c1-8-2-3-9-6-4-7-5-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: OBBNIVPMQNPASL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethoxy)azetidine hydrochloride
• IUPAC Traditional name: 3-(2-methoxyethoxy)azetidine hydrochloride
• Synonyms: 3-(2-methoxyethoxy)azetidine hydrochloride

Database IDs

• MDL Number: MFCD21602510
• PubChem SID: 180670954
• PubChem CID: 17817373

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.7814158
• Log P: -0.39858738
• Molar Refractivity: 34.4816 cm^3
• Polarizability: 13.976185 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3538208

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.038

Product Information

• Purity: 95%