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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Canonical Smiles | CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC |
|---|---|
| IUPAC Name | N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide |
| InChIKey | QRKGKRSGMAWUMO-UHFFFAOYSA-N |
| INCHI | 1S/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27) |
| Molecular Weight | 509.300 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azobenzenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azobenzenes |
| Alternative Parents | Acetanilides Aminophenyl ethers Methoxyanilines Nitrobenzenes N-acetylarylamines Phenoxy compounds Anisoles Dialkylarylamines Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Acetamides Azo compounds Amino acids and derivatives Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions Organobromides Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Azobenzene - Acetanilide - Nitrobenzene - Aminophenyl ether - Anilide - N-acetylarylamine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - N-arylamide - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Aryl halide - Acetamide - C-nitro compound - Carboxamide group - Organic nitro compound - Azo compound - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Amine - Carbonyl group - Organohalogen compound - Organobromide - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 509.300 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 508.071 Da |
| Monoisotopic Mass | 508.071 Da |
| Topological Polar Surface Area | 158.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 697.000 |
| 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 |