2-[4-(morpholin-4-yl)butoxy]benzaldehyde

• ChemBase ID: 312039
• Molecular Formular: C15H21NO3
• Molecular Mass: 263.33214
• Monoisotopic Mass: 263.15214354
• SMILES: N1(CCCCOc2c(C=O)cccc2)CCOCC1
• Canonical SMILES: O=Cc1ccccc1OCCCCN1CCOCC1
• InChI: InChI=1S/C15H21NO3/c17-13-14-5-1-2-6-15(14)19-10-4-3-7-16-8-11-18-12-9-16/h1-2,5-6,13H,3-4,7-12H2
• InChIKey: SVMMWSZZUKPVDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(morpholin-4-yl)butoxy]benzaldehyde
• IUPAC Traditional name: 2-[4-(morpholin-4-yl)butoxy]benzaldehyde
• Synonyms: 2-[4-(4-morpholinyl)butoxy]benzaldehyde

Database IDs

• CAS Number: 82625-41-0
• MDL Number: MFCD08691792

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5658579
• LogD (pH = 7.4): 1.8036757
• Log P: 1.9055433
• Molar Refractivity: 75.7088 cm^3
• Polarizability: 29.121391 Å^3
• Polar Surface Area: 38.77 Å^2