N-(4-amino-2,6-dimethylphenyl)acetamide

• ChemBase ID: 235538
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c1(NC(=O)C)c(cc(cc1C)N)C
• Canonical SMILES: CC(=O)Nc1c(C)cc(cc1C)N
• InChI: InChI=1S/C10H14N2O/c1-6-4-9(11)5-7(2)10(6)12-8(3)13/h4-5H,11H2,1-3H3,(H,12,13)
• InChIKey: HODSKRCNOQNBAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2,6-dimethylphenyl)acetamide
• IUPAC Traditional name: N-(4-amino-2,6-dimethylphenyl)acetamide
• Synonyms: N-(4-amino-2,6-dimethylphenyl)acetamide

Database IDs

• MDL Number: MFCD09966010
• PubChem SID: 164291448
• PubChem CID: 11959019

CALCULATED PROPERTIES

• Acid pKa: 16.870262
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3671976
• LogD (pH = 7.4): 1.4083223
• Log P: 1.408873
• Molar Refractivity: 55.7038 cm^3
• Polarizability: 19.874496 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): -0.368

Product Information

• Purity: 95%