4-[2-(dimethylamino)ethoxy]benzaldehyde

• ChemBase ID: 18009
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: O=Cc1ccc(cc1)OCCN(C)C
• Canonical SMILES: O=Cc1ccc(cc1)OCCN(C)C
• InChI: InChI=1S/C11H15NO2/c1-12(2)7-8-14-11-5-3-10(9-13)4-6-11/h3-6,9H,7-8H2,1-2H3
• InChIKey: CBOKAZFQZOQTOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(dimethylamino)ethoxy]benzaldehyde
• IUPAC Traditional name: 4-[2-(dimethylamino)ethoxy]benzaldehyde
• Synonyms: 4-(2-Dimethylamino-ethoxy)-benzaldehyde; 4-[2-(dimethylamino)ethoxy]benzaldehyde; 4-(2-(dimethylamino)ethoxy)benzaldehyde; 4-[2-(Dimethylamino)ethoxy]benzaldehyde 95%

Database IDs

• CAS Number: 15182-92-0
• MDL Number: MFCD07368978
• PubChem SID: 160981316
• PubChem CID: 84823

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9399236
• LogD (pH = 7.4): 0.82634586
• Log P: 1.5467215
• Molar Refractivity: 57.1243 cm^3
• Polarizability: 21.788866 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.878

Safety Information

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

Product Information

• Purity: 95%; 95+%