4-(azetidin-3-yl)morpholine

• ChemBase ID: 307984
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(C2CNC2)CCOCC1
• Canonical SMILES: O1CCN(CC1)C1CNC1
• InChI: InChI=1S/C7H14N2O/c1-3-10-4-2-9(1)7-5-8-6-7/h7-8H,1-6H2
• InChIKey: GLHXYSFEVOAOSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(azetidin-3-yl)morpholine
• IUPAC Traditional name: 4-(azetidin-3-yl)morpholine
• Synonyms: 4-(3-azetidinyl)morpholine

Database IDs

• CAS Number: 302355-79-9
• MDL Number: MFCD09264459

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6760812
• LogD (pH = 7.4): -2.5702949
• Log P: -0.5044923
• Molar Refractivity: 39.4882 cm^3
• Polarizability: 15.91041 Å^3
• Polar Surface Area: 24.5 Å^2