3-(3-methoxypropoxy)azetidine hydrochloride

• ChemBase ID: 286239
• Molecular Formular: C7H16ClNO2
• Molecular Mass: 181.66044
• Monoisotopic Mass: 181.08695644
• SMILES: N1CC(C1)OCCCOC.Cl
• Canonical SMILES: COCCCOC1CNC1.Cl
• InChI: InChI=1S/C7H15NO2.ClH/c1-9-3-2-4-10-7-5-8-6-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: AJBPFIPNXRNTAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21602746
• PubChem SID: 180671770
• PubChem CID: 67154482

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2939425
• LogD (pH = 7.4): -1.7216154
• Log P: -0.33862764
• Molar Refractivity: 39.347 cm^3
• Polarizability: 15.811754 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.472

Product Information

• Purity: 95%