Determine the necessary mass, volume, or concentration for preparing a solution.
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250μg/ml in methanol 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl |
|---|---|
| IUPAC Name | 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol;hydrochloride |
| InChIKey | OPXKTCUYRHXSBK-UHFFFAOYSA-N |
| INCHI | 1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H |
| Isomeric SMILES | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl |
| WGK Germany | 3 |
| RTECS | DN3180000 |
| UN Number | 2811 |
| Packing Group | III |
| Molecular Weight | 313.65 |
| Reaxy-Rn | 5780956 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5780956&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 | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Aniline and substituted anilines Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary amines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,3-dichlorobenzene - Aniline or substituted anilines - Aralkylamine - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Aromatic alcohol - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Hydrochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | hydrochloride |
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| Melt Point(°C) | 172-176°C |
|---|---|
| Molecular Weight | 313.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 312.056 Da |
| Monoisotopic Mass | 312.056 Da |
| Topological Polar Surface Area | 58.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 233.000 |
| 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 | 2 |
| 1. Shuyan Xiao, Liang Sun, Mingqin Kang, Zhongping Dong. (2022) A label-free aptasensor for clenbuterol detection based on fluorescence resonance energy transfer between graphene oxide and rhodamine B. RSC Advances, 12 (50): (32737-32743). [PMID:36425698] [10.1039/D2RA06260G] |
| 2. Huan Jing, Huiying Ouyang, Weifeng Li, Yumei Long. (2022) Molten salt synthesis of BCNO nanosheets for the electrochemical detection of clenbuterol. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2022.107359] |
| 3. Hui Xu, Zijie Feng, Yingxiang Du. (2019) Synthesis, application and molecular modeling study of ionic liquid functionalized lactobionic acid, 3-methyl-1-(3-sulfopropyl)-1H-imidazol-3-ium lactobionate, as a chiral selector in capillary electrophoresis. ANALYST, 145 (3): (1025-1032). [PMID:31832629] [10.1039/C9AN02009H] |
| 4. Li Ying, Su Ruifang, Xu Jingyue, Bie Jiaxin, Sun Rui, Wang Luokai, Liu Xin, Sun Chunyan. (2018) Aptamers-Based Sensing Strategy for 17β-Estradiol Through Fluorescence Resonance Energy Transfer Between Oppositely Charged CdTe Quantum Dots and Gold Nanoparticles. JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 18 (3): (1517-1527). [PMID:29448625] [10.1166/jnn.2018.14235] |
| 5. Shihua Yu, Zhigang Liu, Jianpo Zhang, Hongwei Li, Na Xu, Xin-xin Yuan, Yuqing Wu. (2018) An azo-coupling reaction-based surface enhanced resonance Raman scattering approach for ultrasensitive detection of salbutamol. RSC Advances, 8 (10): (5536-5541). [PMID:35542390] [10.1039/C7RA12927K] |
| 6. Yufeng Zhou, Haijiao Zheng, Jiutong Ma, Qiong Jia. (2017) Preparation of a polymer monolith modified with delaminated layered double hydroxides for the microextraction of β-agonists. JOURNAL OF SEPARATION SCIENCE, 40 (7): (1548-1555). [PMID:28181395] [10.1002/jssc.201601324] |
| 7. Xiaoyun Lin, Yongnian Ni, Xueying Pei, Serge Kokot. (2017) Electrochemical detection of DNA damage induced by clenbuterol at a reduced graphene oxide-Nafion modified glassy carbon electrode. Analytical Methods, 9 (7): (1105-1111). [PMID:] [10.1039/C6AY03022J] |
| 8. Yayun Yang, Huan Zhang, Chusen Huang, Dapeng Yang, Nengqing Jia. (2016) Electrochemical non-enzyme sensor for detecting clenbuterol (CLB) based on MoS2-Au-PEI-hemin layered nanocomposites. BIOSENSORS & BIOELECTRONICS, [PMID:27151438] [10.1016/j.bios.2016.04.019] |
| 9. Xiaofei Ma, Chengchen Zhang. (2024) Clindamycin phosphate-based deep eutectic solvent as a chiral selector for enantioseparation of amino alcohol drugs in nonaqueous capillary electrophoresis. JOURNAL OF CHROMATOGRAPHY A, [PMID:39326379] [10.1016/j.chroma.2024.465388] |
| 10. Deng Qirui, Liu Xinyan, Wen Xiujuan, Huang Hao, Tang Hongfeng. (2025) UVB Induces Sympathetic Nervous System Activation and Norepinephrine Secretion to Regulate The Skin Color of Mice Through the β2-AR/AP-1 Pathway in Epidermal Keratinocytes. INFLAMMATION, [PMID:39794626] [10.1007/s10753-024-02221-0] |
| 11. Yanxue Xu, Xilan Gao, Jie Cheng, Hong Chen, Tao Tao, Maoping Liu, Dan Xiao. (2026) Activated porous hard carbon electrode for the sensitive electrochemical detection of clenbuterol. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2026.117370] |