Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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O110065-100mg
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100mg |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
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$137.90
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| Synonyms | 3,5-Dinitro-N',N'-dipropylsulfanilamide |
|---|---|
| Specifications & Purity | analytical standard |
| Shipped In | Normal |
| Grade | analytical standard |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dinitroanilines |
| Alternative Parents | Aminobenzenesulfonamides Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Dialkylarylamines Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Dinitroaniline - Aminobenzenesulfonamide - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organic zwitterion - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group. |
| External Descriptors | Dinitroaniline herbicides |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide |
|---|---|
| INCHI | InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22) |
| InChIKey | UNAHYJYOSSSJHH-UHFFFAOYSA-N |
| Smiles | CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-] |
| Isomeric SMILES | CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-] |
| WGK Germany | 2 |
| RTECS | WO9350000 |
| UN Number | 3077 |
| Packing Group | III |
| Molecular Weight | 346.36 |
| Beilstein | 2177305 |
| Reaxy-Rn | 2177305 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2177305&ln= |
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 | Jan 05, 2023 | O110065 |
| Melt Point(°C) | 141°C |
|---|---|
| Molecular Weight | 346.360 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 346.095 Da |
| Monoisotopic Mass | 346.095 Da |
| Topological Polar Surface Area | 163.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 493.000 |
| 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 |
| 1. Yexuan Hu, Tongqing Liu, Shuanglei Wang, Meijin Lv, Yongxin She, Bin Cao, Ziping Zhang, Xiaolin Cao. (2023) Preparation of magnetic molecularly imprinted polymers for the selective extraction of strobilurin fungicides in agricultural products. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, 123 (105564). |