N-(4-methoxyphenyl)acetamide

• ChemBase ID: 89194
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: N(c1ccc(cc1)OC)C(=O)C
• Canonical SMILES: COc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
• InChIKey: XVAIDCNLVLTVFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: P-methoxyacetanilide
• Synonyms: p-Acetanisidine; p-Methoxyacetanilide; Methacetin; N-(4-Methoxyphenyl)acetamide; p-ACETANISIDINE; 4'-Methoxyacetanilide; p-Acetanisidide; N-(4-Methoxyphenyl)acetamide; N-(4-methoxyphenyl)acetamide; N-(Methoxyphenyl)acetamide; 4'-Methoxyacetanilide; 对甲氧基乙酰苯胺; 4-甲氧基-N-乙酰苯胺; 4'-甲氧基乙酰苯胺

Database IDs

• CAS Number: 51-66-1
• EC Number: 200-114-2
• MDL Number: MFCD00014963
• Beilstein Number: 387887
• Merck Index: 1451
• PubChem SID: 162076077
• PubChem CID: 5827

CALCULATED PROPERTIES

• Acid pKa: 14.988169
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0532849
• LogD (pH = 7.4): 1.0532849
• Log P: 1.0532849
• Molar Refractivity: 47.3842 cm^3
• Polarizability: 17.724539 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Solid
• Melting Point: 125-129°C; 126-128°C; 127 - 129°C; 128-130 °C(lit.)
• Hydrophobicity(logP): 1.236

Safety Information

• Storage Condition: Refrigerator
• RTECS: AE8290000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301; H302
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98+%
• Linear Formula: CH3CONHC6H4OCH3

DETAILS

MP Biomedicals - 05201408

MP Biomedicals Rare Chemical collection

Toronto Research Chemicals - M258770

Methacetin is evaluated in a breath test to predict early liver disfunction due to valproic acid and other cause. Methacetin breath test (MBT) is a rapid, non-invasive assessment of liver function in acute severe liver disease and a potential key tool in

REFERENCES

• Lalazar, G. et al.: World J. Gastroenterol., 15, 966 (1997)
• Dorloechter, L. et al.: Zeitsch. Ernaehrung., 36, 373 (1997)
• Holtmeier, J. et al.: Sand J. Gastroenterol., 41, 1336 (1997)