≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756558 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756558 |
| Canonical Smiles | CCCCN(CCC(=O)OCC)C(=O)C |
| IUPAC Name | ethyl 3-[acetyl(butyl)amino]propanoate |
| InChIKey | VZRKEAFHFMSHCD-UHFFFAOYSA-N |
| INCHI | 1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3 |
| Isomeric SMILES | CCCCN(CCC(=O)OCC)C(=O)C |
| Molecular Weight | 215.29 |
| Reaxy-Rn | 11343172 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11343172&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | Tertiary carboxylic acid amides |
| Alternative Parents | Acetamides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetamide - Tertiary carboxylic acid amide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H). |
| External Descriptors | Insect repellents |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2218604 | Certificate of Analysis | Jun 06, 2025 | E303884 |
| H2218605 | Certificate of Analysis | Jun 06, 2025 | E303884 |
| H2218606 | Certificate of Analysis | Jun 06, 2025 | E303884 |
| H2218607 | Certificate of Analysis | Jun 06, 2025 | E303884 |
| H2218608 | Certificate of Analysis | Jun 06, 2025 | E303884 |
| Refractive Index | 1.444 |
|---|---|
| Flash Point(°C) | 144.2ºC |
| Boil Point(°C) | 314.8°C |
| Molecular Weight | 215.290 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 215.152 Da |
| Monoisotopic Mass | 215.152 Da |
| Topological Polar Surface Area | 46.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 204.000 |
| 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 |
| 1. Xiaoxue Wang, Zexin Zhu. (2025) Investigating the role of mosquito repellents in atopic dermatitis. FOOD AND CHEMICAL TOXICOLOGY, [PMID:40403953] [10.1016/j.fct.2025.115571] |
