Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| Sonrisas canónicas | C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=C(C#N)C#N)N |
|---|---|
| IUPAC Name | (3Z)-2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile |
| InChIKey | CMMDWEJTQUTCKG-WUXMJOGZSA-N |
| INCHI | 1S/C15H9N5/c16-7-12(15(19)13(8-17)9-18)6-10-1-2-14-11(5-10)3-4-20-14/h1-6,20H,19H2/b12-6+ |
| Isómeros SMILES | C1=CC2=C(C=CN2)C=C1/C=C(\C#N)/C(=C(C#N)C#N)N |
| Peso molecular | 259.3 |
| Reaxy-Rn | 14825103 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14825103&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 | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Benzenoids Pyrroles Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Enamine - Carbonitrile - Azacycle - Nitrile - Amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| External Descriptors | Not available |
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| Solubilidad | Soluble in DMSO to 75 mM |
|---|---|
| Peso molecular | 259.269 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 259.086 Da |
| Monoisotopic Mass | 259.086 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 582.000 |
| 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 |