≥95% 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 | CC1=CC=C(C=C1)NC(=O)NC2=CC=CC3=C2CCNC3 |
|---|---|
| IUPAC Name | 1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea |
| InChIKey | DRRWKLLCWPYUPT-UHFFFAOYSA-N |
| INCHI | 1S/C17H19N3O/c1-12-5-7-14(8-6-12)19-17(21)20-16-4-2-3-13-11-18-10-9-15(13)16/h2-8,18H,9-11H2,1H3,(H2,19,20,21) |
| PubChem CID | 43808490 |
| Molecular Weight | 281.35 |
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 | Tetrahydroisoquinolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrahydroisoquinolines |
| Alternative Parents | N-phenylureas Toluenes Aralkylamines Ureas Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-phenylurea - Tetrahydroisoquinoline - Toluene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Urea - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
| External Descriptors | Not available |
| Molecular Weight | 281.350 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 281.153 Da |
| Monoisotopic Mass | 281.153 Da |
| Topological Polar Surface Area | 53.200 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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 |
