Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98%(HPLC) Moligand™ 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488179867 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179867 |
| Canonical Smiles | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N |
| IUPAC Name | 2-(diethylamino)ethyl 4-aminobenzoate |
| InChIKey | MFDFERRIHVXMIY-UHFFFAOYSA-N |
| INCHI | 1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3 |
| Isomeric SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N |
| RTECS | DG2100000 |
| PubChem CID | 4914 |
| Molecular Weight | 236.32 |
| Reaxy-Rn | 913480 |
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 | tertiary amino compound - substituted aniline - benzoate ester |
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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 | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Feb 11, 2025 | P160609 | |
| Certificate of Analysis | Jul 22, 2024 | P160609 | |
| Certificate of Analysis | Jun 11, 2024 | P160609 | |
| Certificate of Analysis | Jun 11, 2024 | P160609 | |
| Certificate of Analysis | Jun 11, 2024 | P160609 | |
| Certificate of Analysis | Jun 11, 2024 | P160609 | |
| Certificate of Analysis | Mar 26, 2024 | P160609 | |
| Certificate of Analysis | Dec 08, 2023 | P160609 | |
| Certificate of Analysis | Dec 08, 2023 | P160609 | |
| Certificate of Analysis | Dec 08, 2023 | P160609 | |
| Certificate of Analysis | Dec 08, 2023 | P160609 | |
| Certificate of Analysis | Dec 21, 2022 | P160609 | |
| Certificate of Analysis | Dec 21, 2022 | P160609 | |
| Certificate of Analysis | Dec 21, 2022 | P160609 | |
| Certificate of Analysis | Dec 21, 2022 | P160609 | |
| Certificate of Analysis | Dec 21, 2022 | P160609 | |
| Certificate of Analysis | Dec 21, 2022 | P160609 | |
| Certificate of Analysis | Dec 21, 2022 | P160609 |
| Solubility | Soluble in Ether,Benzene,Methanol,Chloroform |
|---|---|
| Melt Point(°C) | 60-64°C |
| Molecular Weight | 236.310 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 236.152 Da |
| Monoisotopic Mass | 236.152 Da |
| Topological Polar Surface Area | 55.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| 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. Xiao-Dong Cheng, Zheng Zhang, Yun-Ping Li. (2023) A facile approach to undecylenic acid-functionalized stationary phases for per aqueous liquid chromatography. ANALYTICA CHIMICA ACTA, [PMID:37230580] [10.1016/j.aca.2023.341337] |
| 2. Zhang Yi, Jin Zhenkai, Zeng Qingsong, Huang Yanmei, Gu Hang, He Jiahua, Liu Yangyang, Chen Shili, Sun Hui, Lai Jiaping. (2019) Visual test for the presence of the illegal additive ethyl anthranilate by using a photonic crystal test strip. MICROCHIMICA ACTA, 186 (11): (1-10). [PMID:31591665] [10.1007/s00604-019-3800-3] |
| 3. Shili Chen, Hui Sun, Zhenjian Huang, Zhenkai Jin, Siyang Fang, Jiahua He, Yangyang Liu, Yi Zhang, Jiaping Lai. (2019) The visual detection of anesthetics in fish based on an inverse opal photonic crystal sensor. RSC Advances, 9 (29): (16831-16838). [PMID:35516400] [10.1039/C9RA01600G] |
| 4. Shi Li Chen, Hui Sun, Zhen Jian Huang, Si Yang Fang, Jia Hua He, Yang Yang Liu, Jia Ping Lai. (2019) Molecular Imprinted Photonic Crystal Sensor for the Rapid and Visual Detection of Benzocaine in Fish. KEY ENGINEERING MATERIALS, [PMID:] [10.4028/www.scientific.net/KEM.803.129] |
| 5. Min Lin, Hong Yan Zou, Tong Yang, Ze Xi Liu, Hui Liu, Cheng Zhi Huang. (2016) An inner filter effect based sensor of tetracycline hydrochloride as developed by loading photoluminescent carbon nanodots in the electrospun nanofibers. Nanoscale, 8 (5): (2999-3007). [PMID:26781447] [10.1039/C5NR08177G] |
| 6. Yan Qiaofang, Huang Fei, Wang Chuyang, Zhan Min, Zhang Qiaoxuan, Huang Di, Yan Jun, Lin Haibiao, Huang Xianzhang, Han Liqiao. (2024) Clinical application of an optimized reference measurement procedure for serum digoxin using bracketing calibration method by ID-LC-MS/MS. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, [PMID:39382675] [10.1007/s00216-024-05587-0] |
| 7. Yu Zhou, Zhijie Wang, Penghu Niu, Zhangqiang Chen, Zhonghua Li, Mingru Su, Yunjian Liu. (2025) Realizing fast-charging capability of silicon anode via ternary doping and structural disorder. JOURNAL OF COLLOID AND INTERFACE SCIENCE, [PMID:40132424] [10.1016/j.jcis.2025.137372] |
| 8. Yu Xie, Jiawen Yin, Fei Deng, Lingfeng Xu, Kalle Salminen, Limin Liu. (2025) Sandwich-type electrochemical aptamer-based sensor for rapid nanomolar detection of anesthetic drug procaine in biofluids. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.113147] |
| 9. Qing Wang, Yao Long, Lin Yao, Mao Ye, Li Xu. (2017) C18-COOH Silica: Preparation, Characterisation and Its Application in Purification of Quaternary Ammonium Alkaloids from Coptis chinensis. PHYTOCHEMICAL ANALYSIS, 28 (4): (332-343). [PMID:28198057] [10.1002/pca.2680] |
| 10. Yingying Wang, Linping Ma, Shaogui Wu. (2025) Advanced fluorescent carbon dots for quantitative detection of Sudan Red via inner filter effect mechanism. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:40228332] [10.1016/j.saa.2025.126213] |
| 11. Sai-Nan Qin, Yi-Xue Zhang, Yi-Jie Cao, Ting Wan, Yi-Yang Zhou, Shan-Shan Su, Yu-Qiong Guo, Jian-Jun Sun, Kalle Salminen. (2026) A self-assembled electrochemical aptasensor for one-step rapid detection of cisplatin in blood via aptamer conformational change. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2026.116962] |
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