Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
A stimulant. Inhibits reuptake of dopamine and noradrenaline, is an effective antidepressant. Compound exhibits significant addictive properties.
| Canonical Smiles | CN1CC(C2=C(C1)C=C(C=C2)OC)C3=CC(=C(C=C3)Cl)Cl.Cl |
|---|---|
| IUPAC Name | 4-(3,4-dichlorophenyl)-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride |
| InChIKey | PEHOXCSPLOXNOK-UHFFFAOYSA-N |
| INCHI | 1S/C17H17Cl2NO.ClH/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11;/h3-8,15H,9-10H2,1-2H3;1H |
| Isomeric SMILES | CN1CC(C2=C(C1)C=C(C=C2)OC)C3=CC(=C(C=C3)Cl)Cl.Cl |
| PubChem CID | 157489 |
| Molecular Weight | 358.69 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Tetrahydroisoquinolines |
| Subclass | 4-phenyltetrahydroisoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-phenyltetrahydroisoquinolines |
| Alternative Parents | Dichlorobenzenes Anisoles Aralkylamines Alkyl aryl ethers Aryl chlorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenyltetrahydroisoquinoline - 1,2-dichlorobenzene - Anisole - Aralkylamine - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-phenyltetrahydroisoquinolines. These are compounds containing a phenyl group attached to the C4-atom of a tetrahydroisoquinoline moiety. |
| External Descriptors | Not available |
| Solubility | Soluble in methanol. |
|---|---|
| Boil Point(°C) | 422.6° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 222-225° C (dec.) |
| Molecular Weight | 358.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 357.045 Da |
| Monoisotopic Mass | 357.045 Da |
| Topological Polar Surface Area | 12.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |