4-[methyl(phenyl)amino]benzaldehyde

• ChemBase ID: 251422
• Molecular Formular: C14H13NO
• Molecular Mass: 211.25912
• Monoisotopic Mass: 211.09971404
• SMILES: N(c1ccc(C=O)cc1)(c1ccccc1)C
• Canonical SMILES: O=Cc1ccc(cc1)N(c1ccccc1)C
• InChI: InChI=1S/C14H13NO/c1-15(13-5-3-2-4-6-13)14-9-7-12(11-16)8-10-14/h2-11H,1H3
• InChIKey: GDKRKWOVNXZJRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 55489-38-8
• MDL Number: MFCD09040338
• PubChem SID: 164307332
• PubChem CID: 11424381

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.349347
• LogD (pH = 7.4): 3.34935
• Log P: 3.34935
• Molar Refractivity: 66.0249 cm^3
• Polarizability: 24.820265 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.783

Product Information

• Purity: 95%