Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged,Desiccated 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C |
|---|---|
| IUPAC Name | (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine |
| InChIKey | VMXUWOKSQNHOCA-UKTHLTGXSA-N |
| INCHI | 1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ |
| Isomeric SMILES | CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C |
| PubChem CID | 3001055 |
| Molecular Weight | 314.39 |
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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aralkylamines |
| Alternative Parents | Heteroaromatic compounds Furans Trialkylamines C-nitro compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkylthioethers Dialkylamines Organopnictogen compounds Organooxygen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aralkylamine - Furan - Heteroaromatic compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Dialkylthioether - Organic zwitterion - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. |
| External Descriptors | C-nitro compound - tertiary amino compound - furans |
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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 |
|---|---|---|---|
 F2527070 | Certificate of Analysis | Jul 09, 2025 | R304317 |
| C2211435 | Certificate of Analysis | Jan 14, 2025 | R304317 |
| C2211436 | Certificate of Analysis | Jan 14, 2025 | R304317 |
| L2108117 | Certificate of Analysis | Oct 15, 2024 | R304317 |
| L2107796 | Certificate of Analysis | Sep 04, 2024 | R304317 |
| C2211155 | Certificate of Analysis | Dec 23, 2021 | R304317 |
| L2420137 | Certificate of Analysis | Dec 23, 2021 | R304317 |
| E23161127 | Certificate of Analysis | Nov 25, 2021 | R304317 |
| K2310020 | Certificate of Analysis | Nov 25, 2021 | R304317 |
| B2324026 | Certificate of Analysis | Nov 10, 2021 | R304317 |
| Solubility | Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly) |
|---|---|
| Sensitivity | Moisture sensitive |
| Boil Point(°C) | 437.1ºC |
| Melt Point(°C) | 69-70°C |
| Molecular Weight | 314.410 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 314.141 Da |
| Monoisotopic Mass | 314.141 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 347.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Jianrui Niu, Hua Jia, Minghao Yu, Jinyu Zhu, Junjun Ma, Zhuang He, Weizhang Zhong, Yongjiang Hou, Yankai Guo. (2023) Nitrogen-rich penicillin residue biochar for activation of peroxymonosulfate for an efficient degradation of tetracycline and its dual-pathway mechanism. PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, [PMID:] [10.1016/j.psep.2023.11.066] |
| 2. Jiezhou Pan, Haotian Liao, Guidong Gong, Yunxiang He, Qin Wang, Lang Qin, Yaoyao Zhang, Hirotaka Ejima, Blaise L. Tardy, Joseph J. Richardson, Jiaojiao Shang, Orlando J. Rojas, Yong Zeng, Junling Guo. (2023) Supramolecular nanoarchitectonics of phenolic-based nanofiller for controlled diffusion of versatile drugs in hydrogels. JOURNAL OF CONTROLLED RELEASE, [PMID:37422124] [10.1016/j.jconrel.2023.07.003] |
| 3. Li Chen, Tahir Maqbool, Ghazanfar Nazir, Congyu Hou, Yanna Xu, Yulong Yang, Xihui Zhang. (2022) Peroxymonosulfate activated by composite ceramic membrane for the removal of pharmaceuticals and personal care products (PPCPs) mixture: Insights of catalytic and noncatalytic oxidation. WATER RESEARCH, [PMID:36470049] [10.1016/j.watres.2022.119444] |
| 4. Lin Wang, Qiya Sun, Yicheng Dou, Zhipeng Zhang, Tingting Yan, Yongmei Li. (2021) Fabricating a novel ternary recyclable Fe3O4/graphene/sulfur-doped g-C3N4 composite catalyst for enhanced removal of ranitidine under visible-light irradiation and reducing of its N-nitrosodimethylamine formation potential. JOURNAL OF HAZARDOUS MATERIALS, [PMID:33588334] [10.1016/j.jhazmat.2021.125288] |
| 5. Yan Xu, Weitao Yang, Zhuoyao Wu, Hui Wang, Tianming Cui, Weiwei Zeng, Yanjing Yun, Bingbo Zhang. (2024) A Chromium-Based magnetic resonance probe for in situ gastric pH imaging. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.154269] |
| 6. Guodong Shan, Xiuqin Fan, Qingcheng Wang, Li Zhang, Lijun Ge, Weibo Lu, Jing Xue, Kang Chen, Zejun Wang, Qing Shen. (2025) Development of a Captiva EMR-lipid clean-up and LC-MS/MS methodology for detecting H2 receptor antagonists in functional foods and food-medicine homology materials. Applied Food Research, [PMID:] [10.1016/j.afres.2025.100772] |
| 7. Yun-fei Zhang, Xin Quan, Sheng-gui Chen, Jian-hui Xu, Dan Li, Lei Li, Si-hao Lv, Jin-ze Li, Yi-hang Zhang, Zhuo-wei Zhong. (2024) Efficient ranitidine removal using Si3N4-ZVI/PAA system: Mechanistic insights and environmental implications. Journal of Water Process Engineering, [PMID:] [10.1016/j.jwpe.2024.106641] |
| 8. Shi Zhengzheng, Li Jia, Pan Yupeng, Li Xuewei, Zhuang Zile, Li Yihan, Zhang Zheng, Wang Zirui, Luo Qizhi, Chen Xuncai. (2025) Fe-MOF nanoparticles supported with carbon-defective g-C3N4 nanosheet as visible-light driven photo-Fenton catalyst for efficient degradation of tetracycline hydrochloride. Emergent Materials, [PMID:] [10.1007/s42247-025-01071-2] |
| 9. Fazal Muhammad Khoso, Jin-Gang Yu. (2025) Selective removal of Cd2+ from aqueous solution using a novel Ranitidine functionalized three-dimensional graphene oxide (3D RN-GO) composite: Kinetics, isotherms, thermodynamics, and regeneration studies. INORGANIC CHEMISTRY COMMUNICATIONS, [PMID:] [10.1016/j.inoche.2025.114260] |
| 10. Cheng Shu, Ziqi Cai, Zhenghua Zhang. (2025) Symmetric dual-cathode sandwich system for enhanced peroxymonosulfate electrochemical activation and stable water decontamination: performance and mechanism. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2025.134302] |
| 11. Jianhui Xu, Zhijie Cui, Xin Fu, Dan Li, Yanyan Zeng, Yunfei Zhang, Peng Liu, Xiangteng Mo, Kexin Cao, Zijie Shen, Shangkun Ye. (2025) Electrocatalytic oxidation of ranitidine using a fluorinated blue titanium dioxide nanotube array electrode. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2025.119081] |
| 12. Kun Peng, Qiqin Wang, Weijia Chen, Donghai Xia, Zhengyin Zhou, Yuqiang Wang, Zhengjin Jiang, Fuhai Wu. (2016) Phosphatidic acid-functionalized monolithic stationary phase for reversed-phase/cation-exchange mixed mode chromatography. RSC Advances, 6 (103): (100891-100898). [PMID:] [10.1039/C6RA21504A] |
| 13. Yuzhe Wang, Lu sheng, Lin Bu, Huijuan Li, Jianxin Wu, Qing Huang. (2026) A novel epidermal mimicking phospholipid vesicle-based permeation assay: EpiPVPA for in vitro permeation evaluation. INTERNATIONAL JOURNAL OF PHARMACEUTICS, [PMID:41558553] [10.1016/j.ijpharm.2026.126595] |
| 14. Yizhe Ding, Jiacheng Shi, Yuqian Lin, Qiya Sun, Yuxiang Zhao, Xi Wang, Qian Ping, Lin Wang, Yongmei Li. (2026) Unraveling the ranitidine removal mechanism in a novel riboflavin-mediated ultraviolet/peracetic acid system: An integrated density functional theory-machine learning framework. JOURNAL OF HAZARDOUS MATERIALS, [PMID:41764793] [10.1016/j.jhazmat.2026.141618] |
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