4-(2-aminophenyl)benzaldehyde

• ChemBase ID: 811319
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: c1(ccc(cc1)c1c(cccc1)N)C=O
• Canonical SMILES: O=Cc1ccc(cc1)c1ccccc1N
• InChI: InChI=1S/C13H11NO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-9H,14H2
• InChIKey: FGDZXJRHSWKKPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminophenyl)benzaldehyde
• IUPAC Traditional name: 4-(2-aminophenyl)benzaldehyde
• Synonyms: 2'-AMINO-BIPHENYL-4-CARBALDEHYDE

Database IDs

• CAS Number: 885280-30-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4953632
• LogD (pH = 7.4): 2.5039372
• Log P: 2.5040476
• Molar Refractivity: 62.4786 cm^3
• Polarizability: 24.392672 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%