≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488198152 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198152 |
| Canonical Smiles | COC(=O)CCC(=O)N |
| IUPAC Name | methyl 4-amino-4-oxobutanoate |
| InChIKey | HURZMSZDVGMYKJ-UHFFFAOYSA-N |
| INCHI | 1S/C5H9NO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H2,6,7) |
| Isomeric SMILES | COC(=O)CCC(=O)N |
| Molecular Weight | 131.13 |
| Reaxy-Rn | 1759042 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759042&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid methyl esters |
| Alternative Parents | Fatty amides Methyl esters Primary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl ester - Fatty amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2315338 | Certificate of Analysis | Oct 09, 2022 | M158316 |
| B2315352 | Certificate of Analysis | Oct 09, 2022 | M158316 |
| B2315371 | Certificate of Analysis | Oct 09, 2022 | M158316 |
| B2315372 | Certificate of Analysis | Oct 09, 2022 | M158316 |
| Solubility | Soluble in Methanol |
|---|---|
| Refractive Index | 1.44 |
| Boil Point(°C) | 118°C/3mmHg(lit.) |
| Melt Point(°C) | 89 °C |
| Molecular Weight | 131.130 g/mol |
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 131.058 Da |
| Monoisotopic Mass | 131.058 Da |
| Topological Polar Surface Area | 69.400 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| 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 |
