N-(4-amino-2-methylphenyl)acetamide

• ChemBase ID: 14206
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(c(cc(cc1)N)C)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1C)N
• InChI: InChI=1S/C9H12N2O/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: GWFPMSIIVJMYRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-methylphenyl)acetamide
• IUPAC Traditional name: N-(4-amino-2-methylphenyl)acetamide
• Synonyms: N1-(4-amino-2-methylphenyl)acetamide; N-(4-Amino-2-methylphenyl)acetamide; 4-Acetamido-3-methylaniline; 4'-Amino-2'-methylacetanilide; N-(4-Amino-2-methyl-phenyl)-acetamide; N-(4-amino-2-methylphenyl)acetamide

Database IDs

• CAS Number: 56891-59-9
• MDL Number: MFCD00276633
• PubChem SID: 160977513
• PubChem CID: 314338

CALCULATED PROPERTIES

• Acid pKa: 16.499006
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.87041444
• LogD (pH = 7.4): 0.8951272
• Log P: 0.8954516
• Molar Refractivity: 50.6626 cm^3
• Polarizability: 18.109587 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-148°C
• Hydrophobicity(logP): -0.217

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 90%; 95%