3-[3-(morpholin-4-yl)propoxy]benzaldehyde

• ChemBase ID: 312036
• Molecular Formular: C14H19NO3
• Molecular Mass: 249.30556
• Monoisotopic Mass: 249.13649347
• SMILES: N1(CCCOc2cc(C=O)ccc2)CCOCC1
• Canonical SMILES: O=Cc1cccc(c1)OCCCN1CCOCC1
• InChI: InChI=1S/C14H19NO3/c16-12-13-3-1-4-14(11-13)18-8-2-5-15-6-9-17-10-7-15/h1,3-4,11-12H,2,5-10H2
• InChIKey: REBMYEPAUNCQQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(morpholin-4-yl)propoxy]benzaldehyde
• IUPAC Traditional name: 3-[3-(morpholin-4-yl)propoxy]benzaldehyde
• Synonyms: 3-[3-(4-morpholinyl)propoxy]benzaldehyde

Database IDs

• CAS Number: 82625-44-3
• MDL Number: MFCD08691791

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.53322786
• LogD (pH = 7.4): 1.35568
• Log P: 1.3881807
• Molar Refractivity: 71.0642 cm^3
• Polarizability: 27.278921 Å^3
• Polar Surface Area: 38.77 Å^2