Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% 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 17 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O |
|---|---|
| IUPAC Name | 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol |
| InChIKey | XWTYSIMOBUGWOL-UHFFFAOYSA-N |
| INCHI | 1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 |
| Isómeros SMILES | CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O |
| Peso molecular | 225.28 |
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 |
| Clase | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Resorcinols |
| Alternative Parents | Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Aromatic alcohol - Alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. |
| External Descriptors | phenylethanolamines - resorcinols |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Feb 20, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 | |
| Certificate of Analysis | Jan 02, 2024 | T275435 |
| Solubilidad | Soluble in water to 100 mM |
|---|---|
| Peso molecular | 225.280 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 225.136 Da |
| Monoisotopic Mass | 225.136 Da |
| Topological Polar Surface Area | 72.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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. Jian Gao, Hao Yin, Yanqun Dong, Xintong Wang, Yani Liu, KeWei Wang. (2023) A Novel Role of Uricosuric Agent Benzbromarone in BK Channel Activation and Reduction of Airway Smooth Muscle Contraction. MOLECULAR PHARMACOLOGY, 103 (4): (241-254). [PMID:36669879] [10.1124/molpharm.122.000638] |
| 3. Jieqing Feng, Qisheng Zhong, Ting Zhou. (2022) Online Pressure Change Focusing-Supercritical Fluid Selective Extraction Chromatography for Analyzing Chiral Drugs in Microliter-Scale Plasma Samples. ANALYTICAL CHEMISTRY, [PMID:36356211] [10.1021/acs.analchem.2c03892] |
| 4. Yingjie Zhao, Li Tian, Xin Zhang, Zhuo Sun, Xiangyu Shan, Qian Wu, Ruizhan Chen, Juan Lu. (2021) A novel molecularly imprinted polymer electrochemiluminescence sensor based on Fe2O3@Ru(bpy)32+ for determination of clenbuterol. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2021.130822] |
| 5. Xixia Liu, Qi Lu, Sirui Chen, Fang Wang, Jianjun Hou, Zhenlin Xu, Chen Meng, Tianyuan Hu, Yaoyao Hou. (2018) Selection and Identification of Novel Aptamers Specific for Clenbuterol Based on ssDNA Library Immobilized SELEX and Gold Nanoparticles Biosensor. MOLECULES, 23 (9): (2337). [PMID:30216975] [10.3390/molecules23092337] |
| 6. Shaopeng Qi, Bo Zhao, Bo Zhou, Xiaoqing Jiang. (2017) An electrochemical immunosensor based on pristine graphene for rapid determination of ractopamine. CHEMICAL PHYSICS LETTERS, [PMID:] [10.1016/j.cplett.2017.07.055] |
| 7. Liu Yixi, Wang Yong, Liu Le, He Yonghong, He Qinghua, Ji Yanhong. (2016) The detection method for small molecules coupled with a molecularly imprinted polymer/quantum dot chip using a home-built optical system. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 408 (19): (5261-5268). [PMID:27235159] [10.1007/s00216-016-9620-y] |
| 8. Xiuzhen Qiu, Xian-Yan Xu, Yong Liang, Yongbiao Hua, Huishi Guo. (2015) Fabrication of a molecularly imprinted polymer immobilized membrane with nanopores and its application in determination of β2-agonists in pork samples. JOURNAL OF CHROMATOGRAPHY A, [PMID:26709022] [10.1016/j.chroma.2015.12.025] |
| 9. Qing Wang, Yao Long, Lin Yao, Li Xu, Zhi-Guo Shi, Lanying Xu. (2015) Preparation, characterization and application of a reversed phase liquid chromatography/hydrophilic interaction chromatography mixed-mode C18-DTT stationary phase. TALANTA, [PMID:26695288] [10.1016/j.talanta.2015.09.009] |
| 10. Sujun Liu, Kai Shi. (2024) Asymmetric CRISPR-Cas12a powered electrochemical aptasensor for clenbuterol detection based on competitive gRNA mediated cascade signal amplification. FOOD CHEMISTRY, [PMID:39536590] [10.1016/j.foodchem.2024.141928] |
| 11. Li Yang, Ru Liu, Chaodan Li, Boning Gu, Jiannong Ye, Li Chen, Qingcui Chu. (2024) Chiral zeolite beta used as stationary phase for enantioseparation in miniaturized open tubular capillary electrochromatography with amperometric detection. ANALYTICA CHIMICA ACTA, [PMID:38309852] [10.1016/j.aca.2024.342242] |
| 12. Liping Zhang, Yuye Cai, Qisheng Zhong, Shijing Zhang, Lingling Shen, Taohong Huang, Ting Zhou. (2024) Comprehensive characterization of active components in Salvia miltiorrhiza using polarity-partitioned two-dimensional liquid chromatography coupled with mass spectrometry. JOURNAL OF CHROMATOGRAPHY A, [PMID:39405635] [10.1016/j.chroma.2024.465424] |
| 13. Yongjing Liu, Dongting Huang, Chenxi Zhuo, Min Guo, Lirong Chen, Xiaofen Chen, Hua Li, Wei Xu. (2024) Evaluation of chiral separation ability and separation principle of β-cyclodextrins-based supramolecular deep eutectic solvent in capillary electrophoresis. TALANTA, [PMID:39476791] [10.1016/j.talanta.2024.127099] |
| 14. Liang Luo, Chaochao Chen, Jincheng Xiong, Yanton Pan, Qiang Li, Xiaonan Wang, Sihan Wang, Jianzhong Shen, Zhanhui Wang. (2024) Nanozyme–Enzyme Cascade Reaction-Enhanced Ratiometric Fluorescence Immunosensing Platform for Sensitive and Accurate Detection of Ractopamine. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:39537347] [10.1021/acs.jafc.4c08869] |
| 15. Lu Yang, Tong Zhai, Jing Wang, Hong Zheng, Jing-Min Liu, Shuo Wang. (2024) One simple and integrated nano-inspection platform for high-throughput detection of clenbuterol. FOOD CHEMISTRY, [PMID:39406141] [10.1016/j.foodchem.2024.141579] |
| 16. Chunmiao Bo, Xuyan Quan, Yan Li, Weilong Zhao, Shengwei Guo. (2025) Polyvinylcaprolactam Functional Carbon Dots on Silica as Green Stationary Phase for Per Aqueous Liquid Chromatography. Separation Science Plus, 8 (9): (e70121). [PMID:] [10.1002/sscp.70121] |
| 17. 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] |
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