≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Information
DCBA is a metabolite of insect repellent N-N-diethyl-meta-toluamide (DEET). The concentration of DCBA in urine can be used to assess exposure to DEET.
| Canonical Smiles | CCN(CC)C(=O)C1=CC(=CC=C1)C(=O)O |
|---|---|
| IUPAC Name | 3-(diethylcarbamoyl)benzoic acid |
| InChIKey | PXXLQQDIFVPNMP-UHFFFAOYSA-N |
| INCHI | 1S/C12H15NO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16) |
| Isomeric SMILES | CCN(CC)C(=O)C1=CC(=CC=C1)C(=O)O |
| Molecular Weight | 221.25 |
| Reaxy-Rn | 8318863 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8318863&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | Benzoic acids Benzoyl derivatives Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzamide - Benzoic acid - Benzoyl - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. |
| 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 |
|---|---|---|---|
 B2427183 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427204 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427215 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427216 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427217 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427219 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427220 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427293 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427294 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427295 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427296 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| B2427297 | Certificate of Analysis | Jan 20, 2024 | D412675 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 134-135°C |
| Molecular Weight | 221.250 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 221.105 Da |
| Monoisotopic Mass | 221.105 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| 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 |
