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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | N-(4-ethoxyphenyl)acetamide |
| canonical smiles | CCOC1=CC=C(C=C1)NC(=O)C |
| inchi | InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) |
| inchi key | CPJSUEIXXCENMM-UHFFFAOYSA-N |
| molecular formula | C10H13NO2 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 179.22 g/mol |
| XLogP3: | 1.6 |
| Hydrogen Bond Donor Count: | 1 |
| Hydrogen Bond Acceptor Count: | 2 |
| Rotatable Bond Count: | 3 |
| Exact Mass: | 179.094628657 g/mol |
| Monoisotopic Mass: | 179.094628657 g/mol |
| Topological Polar Surface Area: | 38.3 Ų |
| Heavy Atom Count: | 13 |
| Formal Charge: | 0 |
| Complexity: | 162 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| Related Compounds |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 |
| hazard statements | |
| hazards summary | The major hazards encountered in the use and handling of phenacetin stem from its toxicologic properties. Exposure to this odorless, white crystalline substance can occur from its manufacture, handling, and use as an analgesic medication, and stabilizer for hydrogen peroxide in hair bleaching preparations. Effects from exposure may include light-headedness, skin rash, methemoglobinemia, hemolytic anemia, renal papillary necrosis, convulsions, and coma. Also, the International Agency for Research on Cancer (IARC) has designated phenacetin as a Group 2A carcinogen, meaning, "The agent is probably carcinogenic to humans." Mechanical ventilation which employs a high efficiency particulate arrestor (HEPA) should be used to minimize airborne levels of phenacetin. In activities and situations where over-exposure may occur, wear a protective suit and a carefully fitted respirator. Smoking, drinking, and eating should be prohibited in phenacetin work areas, and cleanliness following the handling of phenacetin should be emphasized. Phenacetin should be stored in a securely sealed, watertight container, which should be enclosed in a second, unbreakable, leakproof container. Phenacetin is a potential candidate for rotary kiln and fluidized bed forms of incineration. |
| toxicity summary | Phenacetin's analgesic effects are due to its actions on the sensory tracts of the spinal cord. In addition, phenacetin has a depressant action on the heart, where it acts as a negative inotrope. It is an antipyretic, acting on the brain to decrease the temperature set point. It is also used to treat rheumatoid arthritis and intercostal neuralgia. |
| symptoms | |
| carcinogen classification | IARC Carcinogenic Agent: Phenacetin |
| carcinogen classification | IARC Carcinogenic Classes: Group 1: Carcinogenic to humans |
| carcinogen classification | IARC Monographs: Volume 24: Some Pharmaceutical DrugsVolume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 Volume 100A: Pharmaceuticals |
| carcinogen classification | default_key: 1, carcinogenic to humans. |
