≥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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180324 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180324 |
| Canonical Smiles | CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)N |
| IUPAC Name | [3-(diethylamino)-2,2-dimethylpropyl] 4-aminobenzoate |
| InChIKey | OWQIUQKMMPDHQQ-UHFFFAOYSA-N |
| INCHI | 1S/C16H26N2O2/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13/h7-10H,5-6,11-12,17H2,1-4H3 |
| Isomeric SMILES | CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)N |
| RTECS | UB1575000 |
| Molecular Weight | 278.4 |
| Reaxy-Rn | 2215967 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215967&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 | Benzoic acid esters |
| Alternative Parents | Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| 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 |
|---|---|---|---|
 H2211270 | Certificate of Analysis | May 20, 2026 | D155432 |
| E2006171 | Certificate of Analysis | Feb 20, 2024 | D155432 |
| C2325469 | Certificate of Analysis | Jan 11, 2023 | D155432 |
| C2325477 | Certificate of Analysis | Jan 11, 2023 | D155432 |
| C2325580 | Certificate of Analysis | Jan 11, 2023 | D155432 |
| C2325669 | Certificate of Analysis | Jan 11, 2023 | D155432 |
| H2211273 | Certificate of Analysis | Aug 15, 2022 | D155432 |
| Solubility | Soluble in methanol |
|---|---|
| Melt Point(°C) | 53-57°C |
| Molecular Weight | 278.390 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 278.199 Da |
| Monoisotopic Mass | 278.199 Da |
| Topological Polar Surface Area | 55.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| 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. Lei Jiang, Lin Yuan, Shan Gao, Yingying Xiang, Fei Song, Wensi Ma, Jing Wan, Xiuling Ji, Yujiao Tu. (2023) Facile hydrothermal synthesis of N-doped fluorescent carbon dots for selective detection of insecticide parathion. Analytical Methods, 15 (19): (2376-2381). [PMID:37132329] [10.1039/D3AY00124E] |
| 2. Xinyue Huang, Lei Jiang, Lin Yuan, Wensi Ma, Xintao Cui, Jiaxuan Liu, Xiuling Ji, YujiaoTu. (2025) Orange ratiometric fluorescent probe for sensitive detection of phoxim. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:40795714] [10.1016/j.saa.2025.126785] |
