2-(3-aminophenoxy)-N,N-dimethylacetamide

• ChemBase ID: 259507
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: C(=O)(N(C)C)COc1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)OCC(=O)N(C)C
• InChI: InChI=1S/C10H14N2O2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7,11H2,1-2H3
• InChIKey: ORVOZEIZAGYCHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminophenoxy)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-(3-aminophenoxy)-N,N-dimethylacetamide
• Synonyms: 2-(3-aminophenoxy)-N,N-dimethylacetamide

Database IDs

• MDL Number: MFCD09046918
• PubChem SID: 164315417
• PubChem CID: 10512012

CALCULATED PROPERTIES

• Acid pKa: 16.64897
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.093579575
• LogD (pH = 7.4): 0.104895204
• Log P: 0.10504142
• Molar Refractivity: 54.9218 cm^3
• Polarizability: 20.724512 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100 - 102°C
• Hydrophobicity(logP): 0.195

Product Information

• Purity: 95%