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≥97% 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.
| Canonical Smiles | CN(C)CCCN1C2=CC=CC=C2C3=CC=CC=C3C1=O |
|---|---|
| IUPAC Name | 5-[3-(dimethylamino)propyl]phenanthridin-6-one |
| InChIKey | TVPFRFLDGAWGAM-UHFFFAOYSA-N |
| INCHI | 1S/C18H20N2O/c1-19(2)12-7-13-20-17-11-6-5-9-15(17)14-8-3-4-10-16(14)18(20)21/h3-6,8-11H,7,12-13H2,1-2H3 |
| Isomeric SMILES | CN(C)CCCN1C2=CC=CC=C2C3=CC=CC=C3C1=O |
| Molecular Weight | 280.36 |
| Reaxy-Rn | 1541259 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1541259&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Benzoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthridines and derivatives |
| Alternative Parents | Isoquinolones and derivatives Hydroquinolones Hydroquinolines Pyridinones Benzenoids Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenanthridine - Dihydroquinolone - Isoquinolone - Dihydroquinoline - Isoquinoline - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included. |
| External Descriptors | Not available |
| Molecular Weight | 280.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 280.158 Da |
| Monoisotopic Mass | 280.158 Da |
| Topological Polar Surface Area | 23.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 368.000 |
| 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 |