N-(2-aminophenyl)-N-methylacetamide

• ChemBase ID: 276279
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: N(c1c(N)cccc1)(C(=O)C)C
• Canonical SMILES: CC(=O)N(c1ccccc1N)C
• InChI: InChI=1S/C9H12N2O/c1-7(12)11(2)9-6-4-3-5-8(9)10/h3-6H,10H2,1-2H3
• InChIKey: BCDLBZFBGPAGIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05669701
• PubChem SID: 164332189
• PubChem CID: 4293119

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.24276946
• LogD (pH = 7.4): 0.24605426
• Log P: 0.2460963
• Molar Refractivity: 48.7373 cm^3
• Polarizability: 18.187155 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): -0.12

Product Information

• Purity: 95%