3-(2-propoxyethoxy)azetidine

• ChemBase ID: 45996
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1CC(C1)OCCOCCC
• Canonical SMILES: CCCOCCOC1CNC1
• InChI: InChI=1S/C8H17NO2/c1-2-3-10-4-5-11-8-6-9-7-8/h8-9H,2-7H2,1H3
• InChIKey: IMVZGRGQSYMGGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-propoxyethoxy)azetidine
• IUPAC Traditional name: 3-(2-propoxyethoxy)azetidine
• Synonyms: 3-(2-Propoxyethoxy)azetidine

Database IDs

• MDL Number: MFCD13559929
• PubChem SID: 162050759
• PubChem CID: 53409249

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4744904
• LogD (pH = 7.4): -0.9020855
• Log P: 0.480743
• Molar Refractivity: 43.7542 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false