2-[2-(dimethylamino)ethoxy]benzaldehyde

• ChemBase ID: 18759
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c1(c(OCCN(C)C)cccc1)C=O
• Canonical SMILES: O=Cc1ccccc1OCCN(C)C
• InChI: InChI=1S/C11H15NO2/c1-12(2)7-8-14-11-6-4-3-5-10(11)9-13/h3-6,9H,7-8H2,1-2H3
• InChIKey: TWMYSXRSVLFCGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(dimethylamino)ethoxy]benzaldehyde
• IUPAC Traditional name: 2-[2-(dimethylamino)ethoxy]benzaldehyde
• Synonyms: 2-[2-(dimethylamino)ethoxy]benzaldehyde; 2-(2-Dimethylamino-ethoxy)-benzaldehyde; N,N-Dimethyl-2-(2-formylphenoxy)ethylamine; 2-[2-(Dimethylamino)ethoxy]benzaldehyde 97%

Database IDs

• CAS Number: 15182-06-6
• MDL Number: MFCD08146610
• PubChem SID: 160982066
• PubChem CID: 6504241

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.904156
• LogD (pH = 7.4): 0.8580416
• Log P: 1.5467215
• Molar Refractivity: 57.1243 cm^3
• Polarizability: 21.791418 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%