N-(4-methylphenyl)acetamide

• ChemBase ID: 84683
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: N(c1ccc(cc1)C)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)C
• InChI: InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
• InChIKey: YICAMJWHIUMFDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methylphenyl)acetamide
• IUPAC Traditional name: 4-methylacetanilide
• Synonyms: p-Acetotoluidide; 4′-Methylacetanilide; 4'-Methylacetanilide; N-(4-Methylphenyl)acetamide; 4-Acetamidotoluene; 4'-Methylacetanilide; N-(4-methylphenyl)acetamide; 4-(Acetylamino)toluene; 4-Acetotoluide; 1-Acetamido-4-methylbenzene; N-p-Tolylacetamide; p-Acetotoluide; NSC 7644; 4'-Methylacetanilide; 乙酰对甲苯胺; 4'-甲基乙酰苯胺

Database IDs

• CAS Number: 103-89-9
• EC Number: 203-155-4
• MDL Number: MFCD00008677
• Beilstein Number: 607036
• Merck Index: 1474
• PubChem SID: 24858558; 162071799
• PubChem CID: 7684

CALCULATED PROPERTIES

• Acid pKa: 14.756157
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7243775
• LogD (pH = 7.4): 1.7243775
• Log P: 1.7243776
• Molar Refractivity: 45.9622 cm^3
• Polarizability: 16.971716 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Off-White Solid
• Melting Point: 147-150°C; 149-151 °C(lit.)
• Boiling Point: 306-308°C; 307 °C(lit.)

Safety Information

• RTECS: AN2930000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98+%; 99%
• Linear Formula: CH3CONHC6H4CH3

DETAILS

Sigma Aldrich - 307076

Packaging
10 g in glass bottle
100 g in poly bottle