ethyl 2-(2-aminophenyl)acetate

• ChemBase ID: 816155
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: O(C(=O)Cc1c(cccc1)N)CC
• Canonical SMILES: CCOC(=O)Cc1ccccc1N
• InChI: InChI=1S/C10H13NO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7,11H2,1H3
• InChIKey: UELJXCRPLCATAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-aminophenyl)acetate
• IUPAC Traditional name: ethyl 2-(2-aminophenyl)acetate
• Synonyms: ETHYL 2-AMINOPHENYLACETATE

Database IDs

• CAS Number: 64460-85-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2790526
• LogD (pH = 7.4): 1.2846977
• Log P: 1.2847701
• Molar Refractivity: 51.5837 cm^3
• Polarizability: 19.59555 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%