Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504767929 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767929 |
| Sonrisas canónicas | C1CN(CC1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| IUPAC Name | (3R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine |
| InChIKey | QSDDQXROWUJAJX-ZCFIWIBFSA-N |
| INCHI | 1S/C10H11N5O3/c11-6-3-4-14(5-6)7-1-2-8(15(16)17)10-9(7)12-18-13-10/h1-2,6H,3-5,11H2/t6-/m1/s1 |
| Isómeros SMILES | C1CN(C[C@@H]1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| Peso molecular | 249.23 |
| Reaxy-Rn | 40535721 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40535721&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 |
| Clase | Benzoxadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxadiazoles |
| Alternative Parents | Nitroaromatic compounds Dialkylarylamines Benzenoids Pyrrolidines Heteroaromatic compounds Furazans Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxadiazole - Nitroaromatic compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Pyrrolidine - C-nitro compound - Organic nitro compound - Tertiary amine - Organic oxoazanium - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Primary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Primary aliphatic amine - Organic cation - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom). |
| External Descriptors | Not available |
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 | May 19, 2026 | R160857 | |
| Certificate of Analysis | Apr 07, 2026 | R160857 | |
| Certificate of Analysis | Apr 07, 2026 | R160857 | |
| Certificate of Analysis | Mar 11, 2026 | R160857 | |
| Certificate of Analysis | Jun 24, 2022 | R160857 | |
| Certificate of Analysis | May 28, 2022 | R160857 |
| Rotación específica [α] | -13° (C=0.2,CH3CN) |
|---|---|
| Peso molecular | 249.230 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 249.086 Da |
| Monoisotopic Mass | 249.086 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 336.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |