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

• ChemBase ID: 17921
• Molecular Formular: C13H17NO3
• Molecular Mass: 235.27898
• Monoisotopic Mass: 235.12084341
• SMILES: N1(CCOc2ccc(C=O)cc2)CCOCC1
• Canonical SMILES: O=Cc1ccc(cc1)OCCN1CCOCC1
• InChI: InChI=1S/C13H17NO3/c15-11-12-1-3-13(4-2-12)17-10-7-14-5-8-16-9-6-14/h1-4,11H,5-10H2
• InChIKey: FGLXMUOMJOHGKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(morpholin-4-yl)ethoxy]benzaldehyde
• IUPAC Traditional name: 4-[2-(morpholin-4-yl)ethoxy]benzaldehyde
• Synonyms: 4-(2-Morpholin-4-yl-ethoxy)-benzaldehyde; 4-[2-(Morpholin-4-yl)ethoxy]benzaldehyde 97%; 4-(2-morpholinoethoxy)benzaldehyde; 4-[2-(morpholin-4-yl)ethoxy]benzaldehyde; 4-(2-morpholin-4-ylethoxy)benzaldehyde

Database IDs

• CAS Number: 82625-45-4
• MDL Number: MFCD01822190
• PubChem SID: 160981228
• PubChem CID: 3719902

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8275708
• LogD (pH = 7.4): 1.3165239
• Log P: 1.328221
• Molar Refractivity: 66.1988 cm^3
• Polarizability: 25.438524 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 164°C
• Hydrophobicity(logP): 1.898

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%