2-(morpholin-4-yl)acetaldehyde

• ChemBase ID: 289671
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: O=CCN1CCOCC1
• Canonical SMILES: O=CCN1CCOCC1
• InChI: InChI=1S/C6H11NO2/c8-4-1-7-2-5-9-6-3-7/h4H,1-3,5-6H2
• InChIKey: KKOPYUKQPCQGEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)acetaldehyde
• IUPAC Traditional name: 2-(morpholin-4-yl)acetaldehyde
• Synonyms: 2-Morpholinoacetaldehyde

Database IDs

• CAS Number: 21977-09-3
• MDL Number: MFCD05663331
• PubChem SID: 180675202
• PubChem CID: 1519330

CALCULATED PROPERTIES

• Acid pKa: 17.608139
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9819419
• LogD (pH = 7.4): -0.7137225
• Log P: -0.70896393
• Molar Refractivity: 34.2218 cm^3
• Polarizability: 13.364334 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%