2-methoxymorpholine

• ChemBase ID: 238672
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: N1CC(OCC1)OC
• Canonical SMILES: COC1CNCCO1
• InChI: InChI=1S/C5H11NO2/c1-7-5-4-6-2-3-8-5/h5-6H,2-4H2,1H3
• InChIKey: WODGULJMZNRBMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxymorpholine
• IUPAC Traditional name: 2-methoxymorpholine
• Synonyms: 2-methoxymorpholine

Database IDs

• MDL Number: MFCD19221018
• PubChem SID: 164294582
• PubChem CID: 22019307

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.304366
• LogD (pH = 7.4): -0.6134685
• Log P: -0.13247636
• Molar Refractivity: 29.549 cm^3
• Polarizability: 12.143482 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.488

Product Information

• Purity: 95%