4-[2-(dimethylamino)ethoxy]-3-ethoxybenzaldehyde

• ChemBase ID: 312312
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: c1(c(ccc(c1)C=O)OCCN(C)C)OCC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCCN(C)C
• InChI: InChI=1S/C13H19NO3/c1-4-16-13-9-11(10-15)5-6-12(13)17-8-7-14(2)3/h5-6,9-10H,4,7-8H2,1-3H3
• InChIKey: DXVVPLONEXQGLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(dimethylamino)ethoxy]-3-ethoxybenzaldehyde
• IUPAC Traditional name: 4-[2-(dimethylamino)ethoxy]-3-ethoxybenzaldehyde
• Synonyms: 4-[2-(dimethylamino)ethoxy]-3-ethoxybenzaldehyde

Database IDs

• CAS Number: 86759-23-1
• MDL Number: MFCD08691891

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6871645
• LogD (pH = 7.4): 1.0726933
• Log P: 1.7458581
• Molar Refractivity: 68.3361 cm^3
• Polarizability: 26.149727 Å^3
• Polar Surface Area: 38.77 Å^2