3-methoxymorpholine-4-carbaldehyde

• ChemBase ID: 59376
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: C1COCC(N1C=O)OC
• Canonical SMILES: COC1COCCN1C=O
• InChI: InChI=1S/C6H11NO3/c1-9-6-4-10-3-2-7(6)5-8/h5-6H,2-4H2,1H3
• InChIKey: WTPRBRLPWZIBJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxymorpholine-4-carbaldehyde
• IUPAC Traditional name: 3-methoxymorpholine-4-carbaldehyde
• Synonyms: 3-Methoxymorpholine-4-carbaldehyde

Database IDs

• CAS Number: 61020-09-5
• MDL Number: MFCD09859660
• PubChem SID: 162064139
• PubChem CID: 13117651

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.57123286
• LogD (pH = 7.4): -0.5712328
• Log P: -0.5712328
• Molar Refractivity: 34.6244 cm^3
• Polarizability: 13.739047 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false