Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A useful biochemical in neurotransmitter studies.
| Pubchem Sid | 504750958 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750958 |
| Canonical Smiles | C1CCC2=NN=NN2CC1 |
| IUPAC Name | 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine |
| InChIKey | CWRVKFFCRWGWCS-UHFFFAOYSA-N |
| INCHI | 1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2 |
| Isomeric SMILES | C1CCC2=NN=NN2CC1 |
| WGK Germany | 3 |
| RTECS | XF8225000 |
| UN Number | 2811 |
| Packing Group | I |
| Molecular Weight | 138.17 |
| Reaxy-Rn | 135492 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135492&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 | Organoheterocyclic compounds |
| Class | Azepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azepines |
| Alternative Parents | Tetrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Azepine - Heteroaromatic compound - Tetrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom. |
| External Descriptors | organic heterobicyclic compound - organonitrogen heterocyclic compound |
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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 22, 2025 | P103065 | |
| Certificate of Analysis | Feb 22, 2025 | P103065 | |
| Certificate of Analysis | Feb 22, 2025 | P103065 | |
| Certificate of Analysis | Feb 22, 2025 | P103065 | |
| Certificate of Analysis | Feb 22, 2025 | P103065 | |
| Certificate of Analysis | Feb 22, 2025 | P103065 | |
| Certificate of Analysis | Feb 22, 2025 | P103065 | |
| Certificate of Analysis | Nov 22, 2024 | P103065 | |
| Certificate of Analysis | Nov 22, 2024 | P103065 | |
| Certificate of Analysis | Nov 22, 2024 | P103065 | |
| Certificate of Analysis | May 08, 2024 | P103065 | |
| Certificate of Analysis | May 08, 2024 | P103065 | |
| Certificate of Analysis | May 08, 2024 | P103065 | |
| Certificate of Analysis | May 08, 2024 | P103065 | |
| Certificate of Analysis | May 08, 2024 | P103065 | |
| Certificate of Analysis | Aug 28, 2023 | P103065 | |
| Certificate of Analysis | Aug 28, 2023 | P103065 | |
| Certificate of Analysis | Aug 28, 2023 | P103065 | |
| Certificate of Analysis | Aug 28, 2023 | P103065 | |
| Certificate of Analysis | Aug 28, 2023 | P103065 | |
| Certificate of Analysis | Aug 28, 2023 | P103065 | |
| Certificate of Analysis | May 23, 2022 | P103065 | |
| Certificate of Analysis | May 23, 2022 | P103065 | |
| Certificate of Analysis | May 23, 2022 | P103065 | |
| Certificate of Analysis | May 23, 2022 | P103065 | |
| Certificate of Analysis | May 23, 2022 | P103065 |
| Solubility | Solvent:water, Max Conc. mg/mL: 13.81, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 13.81, Max Conc. mM: 100 |
|---|---|
| Sensitivity | Hygroscopic |
| Boil Point(°C) | 194°C |
| Melt Point(°C) | 60°C |
| Molecular Weight | 138.170 g/mol |
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 138.091 Da |
| Monoisotopic Mass | 138.091 Da |
| Topological Polar Surface Area | 43.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |
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| 4. Ming-Xia Song, Yuping Huang, Shiben Wang, Zeng-Tao Wang, Xian-Qing Deng. (2019) Design, synthesis, and evaluation of anticonvulsant activities of benzoxazole derivatives containing the 1,2,4-triazolone moiety. ARCHIV DER PHARMAZIE, 352 (8): (1800313). [PMID:31330092] [10.1002/ardp.201800313] |
| 5. Hao Liu, Zhi Song, Da-Guang Liao, Tian-Yi Zhang, Feng Liu, Kai Zhuang, Kui Luo, Liang Yang, Jing He, Jian-Ping Lei. (2015) Anticonvulsant and Sedative Effects of Eudesmin isolated from Acorus tatarinowii on mice and rats. PHYTOTHERAPY RESEARCH, 29 (7): (996-1003). [PMID:25851178] [10.1002/ptr.5337] |
| 6. Jun Xiang, Yugang Jiang. (2013) Antiepileptic Potential of Matrine via Regulation the Levels of Gamma-Aminobutyric Acid and Glutamic Acid in the Brain. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 14 (12): (23751-23761). [PMID:24317434] [10.3390/ijms141223751] |
| 7. Tao Yang, Bin Kong, Jian-Wen Gu, Yong-Qin Kuang, Lin Cheng, Wen-Tao Yang, Jing-Min Cheng, Yuan Ma, Xiao-Kun Yang. (2013) Anticonvulsant and sedative effects of paederosidic acid isolated from Paederia scandens (Lour.) Merrill. in mice and rats. PHARMACOLOGY BIOCHEMISTRY AND BEHAVIOR, [PMID:24029464] [10.1016/j.pbb.2013.08.015] |
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| 13. Liang Chen, Jiaxin Li, Wenhui Zhang, Jiepeng Wang. (2025) Antiepileptic Effects of Acorus tatarinowii Schott in a Rat Model of Epilepsy: Regulation of Metabolic Axes and Gut Microbiota. Biology-Basel, 14 (5): (488). [PMID:40427677] [10.3390/biology14050488] |
| 14. Tan Xue, Qi Wang, Panpan Zhang, Yan Miao, Jianing Sun, Fengyu Dong, Xinjing Gui, Jing Yao, Ruixin Liu. (2025) Consistency between stir-frying Bombyx Batryticatus formula granules and traditional decoctions based on multi-component qualitative and quantitative analysis combined with GC-IMS and chemometrics. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:40381251] [10.1016/j.jpba.2025.116971] |
| 15. Yongcheng Jiang, Lina Guo, Houde He, Haonan Chen, Tao Chen, Yan Liu, Wang Zhao. (2025) Lactobacillus reuteri E9 Regulates Sleep Disorders Through Its Metabolite GABA. Frontiers in Bioscience-Landmark, 30 (6): (39587). [PMID:40613302] [10.31083/FBL39587] |
| 16. Mi Wang, Tianqi Liu, Hao Wang, Zhenyuan Wang, Jiaheng Zhang. (2025) A Supramolecular System of Bioactive Ionic Liquid, Peony Extract, and Peptide for Enhanced Permeability and Synergistic Skincare Benefits. CHEMISTRY-A EUROPEAN JOURNAL, [PMID:40522284] [10.1002/chem.202501323] |
| 17. Jiahao Liu, Jiawei Li, Yuanyuan Liu, Ruici Liu, Liya Fang, Zhimei Jiang, Lei Liu, Luchuan Wang, Chao Gong, Deming Kong, Ruting Fu, Pei Zeng, Jin Guo, Shaobo Zhou. (2025) Preventive effects of vitamin D on epileptic seizures and its regulation of PTEN and autophagy in acute epilepsy mouse models. NUTRITIONAL NEUROSCIENCE, [PMID:41327833] [10.1080/1028415X.2025.2592265] |
| 18. XiaoYang Qu, LiJuan Chen, JiangHua He, YuFei Fang, Jing Sun, ZhiYing Yu, Zhen Yang, ZiJing Zhang, JianBo Chen, Ling Dong. (2026) Hyodeoxycholic acid in Arisaema Cum Bile can alleviate pentylenetetrazol-induced epilepsy by activating p53/Nrf2/GPX4 to inhibit ferroptosis. PHYTOMEDICINE, [PMID:41764838] [10.1016/j.phymed.2026.157907] |