morpholine-4-carbaldehyde

• ChemBase ID: 174819
• Molecular Formular: C5H9NO2
• Molecular Mass: 116.12311484
• Monoisotopic Mass: 116.06668337
• SMILES: C1OCCN(C1)[13CH]=O
• Canonical SMILES: O=[13CH]N1CCOCC1
• InChI: InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2/i5+1
• InChIKey: LCEDQNDDFOCWGG-HOSYLAQJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-carbaldehyde
• IUPAC Traditional name: N-formylmorpholine
• Synonyms: N-Formylmorpholine-13C; 4-Morpholinecarboxaldehyde-13C

Database IDs

• CAS Number: 113009-82-8
• PubChem SID: 164230729
• PubChem CID: 71750844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.8501358
• LogD (pH = 7.4): -0.8501354
• Log P: -0.8501354
• Molar Refractivity: 28.8433 cm^3
• Polarizability: 11.166473 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Light Yellow Oil