sublimed grade, ≥99%(HPLC) Sublimed grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC1=CC(=C(C#N)C#N)C=C(O1)C=CC2=CC3=C4C(=C2)C(CCN4CCC3(C)C)(C)C |
|---|---|
| IUPAC Name | 2-[2-methyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]propanedinitrile |
| InChIKey | DTZWGKCFKSJGPK-VOTSOKGWSA-N |
| INCHI | 1S/C27H29N3O/c1-18-12-20(21(16-28)17-29)15-22(31-18)7-6-19-13-23-25-24(14-19)27(4,5)9-11-30(25)10-8-26(23,2)3/h6-7,12-15H,8-11H2,1-5H3/b7-6+ |
| Isomeric SMILES | CC1=CC(=C(C#N)C#N)C=C(O1)/C=C/C2=CC3=C4C(=C2)C(CCN4CCC3(C)C)(C)C |
| Molecular Weight | 411.54 |
| Reaxy-Rn | 36925064 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36925064&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 | Quinolines and derivatives |
| Subclass | Hydroquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolines |
| Alternative Parents | Styrenes Dialkylarylamines Aralkylamines Pyrans Oxacyclic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroquinoline - Styrene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Pyran - Benzenoid - Tertiary amine - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. |
| External Descriptors | Not available |
| Molecular Weight | 411.500 g/mol |
|---|---|
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 411.231 Da |
| Monoisotopic Mass | 411.231 Da |
| Topological Polar Surface Area | 60.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 926.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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