2-[2-(diethylamino)ethoxy]benzaldehyde

• ChemBase ID: 18003
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(c(OCCN(CC)CC)cccc1)C=O
• Canonical SMILES: CCN(CCOc1ccccc1C=O)CC
• InChI: InChI=1S/C13H19NO2/c1-3-14(4-2)9-10-16-13-8-6-5-7-12(13)11-15/h5-8,11H,3-4,9-10H2,1-2H3
• InChIKey: SLNFFKAUEGIFPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(diethylamino)ethoxy]benzaldehyde
• IUPAC Traditional name: 2-[2-(diethylamino)ethoxy]benzaldehyde
• Synonyms: 2-[2-(Diethylamino)ethoxy]benzenecarbaldehyde

Database IDs

• CAS Number: 14573-92-3
• MDL Number: MFCD03001299
• PubChem SID: 160981310
• PubChem CID: 2764516

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.65039754
• LogD (pH = 7.4): 1.0927691
• Log P: 2.2603374
• Molar Refractivity: 66.6215 cm^3
• Polarizability: 25.478323 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130 °C @ 1mm Hg

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%