2-(2-aminophenyl)-N,N-dimethylacetamide

• ChemBase ID: 123917
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(Cc1c(N)cccc1)N(C)C
• Canonical SMILES: O=C(N(C)C)Cc1ccccc1N
• InChI: InChI=1S/C10H14N2O/c1-12(2)10(13)7-8-5-3-4-6-9(8)11/h3-6H,7,11H2,1-2H3
• InChIKey: BHPJSFPAIYHSEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 86162-60-9
• MDL Number: MFCD09739139
• PubChem SID: 162218270
• PubChem CID: 12884235

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.41566855
• LogD (pH = 7.4): 0.42239127
• Log P: 0.42247766
• Molar Refractivity: 53.6816 cm^3
• Polarizability: 20.039133 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): -0.311

Product Information

• Purity: 95%