2-(4-aminophenoxy)acetamide

• ChemBase ID: 30329
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: C(=O)(COc1ccc(N)cc1)N
• Canonical SMILES: NC(=O)COc1ccc(cc1)N
• InChI: InChI=1S/C8H10N2O2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H2,10,11)
• InChIKey: COKCPIVADVZEGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenoxy)acetamide
• IUPAC Traditional name: 2-(4-aminophenoxy)acetamide
• Synonyms: 2-(4-aminophenoxy)acetamide; 2-(4-Amino-phenoxy)-acetamide

Database IDs

• CAS Number: 58232-55-6
• MDL Number: MFCD01733414
• PubChem SID: 160993636
• PubChem CID: 3026006

CALCULATED PROPERTIES

• Acid pKa: 15.645818
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.45042866
• LogD (pH = 7.4): -0.34385595
• Log P: -0.3423107
• Molar Refractivity: 45.1284 cm^3
• Polarizability: 17.051275 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): -0.501

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%