2-(oxetan-2-yl)morpholine

• ChemBase ID: 796102
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C1C(OCCN1)C1OCC1
• Canonical SMILES: C1COC(CN1)C1CCO1
• InChI: InChI=1S/C7H13NO2/c1-3-9-6(1)7-5-8-2-4-10-7/h6-8H,1-5H2
• InChIKey: XNSYJUXDEMVBLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxetan-2-yl)morpholine
• IUPAC Traditional name: 2-(oxetan-2-yl)morpholine
• Synonyms: 2-(Oxetan-2-yl)Morpholine

Database IDs

• CAS Number: 166756-08-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1965191
• LogD (pH = 7.4): -1.5004747
• Log P: -0.45038548
• Molar Refractivity: 37.0482 cm^3
• Polarizability: 15.092001 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%