2-(4-aminophenyl)-N-ethylacetamide

• ChemBase ID: 255731
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(Cc1ccc(N)cc1)NCC
• Canonical SMILES: CCNC(=O)Cc1ccc(cc1)N
• InChI: InChI=1S/C10H14N2O/c1-2-12-10(13)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3,(H,12,13)
• InChIKey: LKDUVXJFNWSXKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-N-ethylacetamide
• IUPAC Traditional name: 2-(4-aminophenyl)-N-ethylacetamide
• Synonyms: 2-(4-aminophenyl)-N-ethylacetamide

Database IDs

• MDL Number: MFCD09043009
• PubChem SID: 164311641
• PubChem CID: 16770722

CALCULATED PROPERTIES

• Acid pKa: 16.128183
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5232176
• LogD (pH = 7.4): 0.5551862
• Log P: 0.5556096
• Molar Refractivity: 53.5335 cm^3
• Polarizability: 20.038904 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117 - 119°C
• Hydrophobicity(logP): -0.0080

Product Information

• Purity: 95%