Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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A135813-1g
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1g |
3
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$9.90
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A135813-5g
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5g |
5
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$28.90
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A135813-25g
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25g |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
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$85.90
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| Synonyms | HMS3264O15 | DIACETAMATE [INN] | N,o-diacetyl-4-aminopheno | 4-(Acetylamino)phenyl Acetate (N,O-Diacetyl-4-aminophenol) | Acetamide, N-[4-(acetyloxy)phenyl]- | EINECS 220-077-6 | N,O-Diacetyl-4-aminophenol | N-Acetyl-4-aminophenyl acetate | 4'-Hydroxyacet |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product Description |
An acetaminophen synthetic impurity. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol esters |
| Alternative Parents | Acetanilides N-acetylarylamines Phenoxy compounds Acetamides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acetanilide - Phenol ester - N-acetylarylamine - Anilide - Phenoxy compound - N-arylamide - Monocyclic benzene moiety - Acetamide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Pubchem Sid | 488182398 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182398 |
| IUPAC Name | (4-acetamidophenyl) acetate |
| INCHI | InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12) |
| InChIKey | UJAOSPFULOFZRR-UHFFFAOYSA-N |
| Smiles | CC(=O)NC1=CC=C(C=C1)OC(=O)C |
| Isomeric SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C |
| Molecular Weight | 193.2 |
| Reaxy-Rn | 2694124 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2694124&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Nov 01, 2023 | A135813 | |
| Certificate of Analysis | Nov 01, 2023 | A135813 | |
| Certificate of Analysis | Nov 01, 2023 | A135813 | |
| Certificate of Analysis | Mar 16, 2023 | A135813 | |
| Certificate of Analysis | Dec 06, 2022 | A135813 |
| Solubility | Chloroform and Methanol. |
|---|---|
| Melt Point(°C) | 155 °C |
| Molecular Weight | 193.200 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 193.074 Da |
| Monoisotopic Mass | 193.074 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |