8-acetamidonaphthalen-2-yl acetate

• ChemBase ID: 806564
• Molecular Formular: C14H13NO3
• Molecular Mass: 243.25792
• Monoisotopic Mass: 243.08954328
• SMILES: O(C(=O)C)c1ccc2c(c(ccc2)NC(=O)C)c1
• Canonical SMILES: CC(=O)Nc1cccc2c1cc(cc2)OC(=O)C
• InChI: InChI=1S/C14H13NO3/c1-9(16)15-14-5-3-4-11-6-7-12(8-13(11)14)18-10(2)17/h3-8H,1-2H3,(H,15,16)
• InChIKey: ZJRDCIAHXPSCHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-acetamidonaphthalen-2-yl acetate
• IUPAC Traditional name: 8-acetamidonaphthalen-2-yl acetate
• Synonyms: 8-ACETAMIDONAPHTHALEN-2-YL ACETATE

Database IDs

• CAS Number: 29921-56-0

CALCULATED PROPERTIES

• Acid pKa: 13.567609
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.807694
• LogD (pH = 7.4): 1.8076936
• Log P: 1.807694
• Molar Refractivity: 68.5036 cm^3
• Polarizability: 27.137545 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%