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| Synonyms | 4'-Aminopropiophenone | 70-69-9 | 1-(4-aminophenyl)propan-1-one | p-Aminopropiophenone | 1-(4-Aminophenyl)-1-propanone | 4-Aminopropiophenone | 1-Propanone, 1-(4-aminophenyl)- | Propiophenone, 4'-amino- | USAF uctl-1856 | Ethyl p-aminophenyl ketone | NSC 3187 | MFCD00017113 | 79 |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenylpropane - Aniline or substituted anilines - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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 | 504751046 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751046 |
| IUPAC Name | 1-(4-aminophenyl)propan-1-one |
| INCHI | InChI=1S/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 |
| InChIKey | FSWXOANXOQPCFF-UHFFFAOYSA-N |
| Smiles | CCC(=O)C1=CC=C(C=C1)N |
| Isomeric SMILES | CCC(=O)C1=CC=C(C=C1)N |
| UN Number | 2811 |
| Packing Group | I |
| Molecular Weight | 149.19 |
| Reaxy-Rn | 2802691 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802691&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 | Jul 07, 2022 | A419382 | |
| Certificate of Analysis | Jul 07, 2022 | A419382 | |
| Certificate of Analysis | Jul 07, 2022 | A419382 | |
| Certificate of Analysis | Jul 07, 2022 | A419382 | |
| Certificate of Analysis | Jul 07, 2022 | A419382 |
| Molecular Weight | 149.190 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 149.084 Da |
| Monoisotopic Mass | 149.084 Da |
| Topological Polar Surface Area | 43.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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 |