4-[ethyl(methyl)amino]benzaldehyde

• ChemBase ID: 308324
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c1(N(CC)C)ccc(C=O)cc1
• Canonical SMILES: CCN(c1ccc(cc1)C=O)C
• InChI: InChI=1S/C10H13NO/c1-3-11(2)10-6-4-9(8-12)5-7-10/h4-8H,3H2,1-2H3
• InChIKey: JHKGPGMTHIYKKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[ethyl(methyl)amino]benzaldehyde
• IUPAC Traditional name: 4-[ethyl(methyl)amino]benzaldehyde
• Synonyms: 4-[ethyl(methyl)amino]benzaldehyde

Database IDs

• CAS Number: 64693-47-6
• MDL Number: MFCD09864610

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1422956
• LogD (pH = 7.4): 2.1504943
• Log P: 2.1506
• Molar Refractivity: 51.8192 cm^3
• Polarizability: 18.88908 Å^3
• Polar Surface Area: 20.31 Å^2