≥98% 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 | COC1=CC=C(C=C1)CC2C3=C(CCCC3)CCN2 |
|---|---|
| IUPAC Name | 1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline |
| InChIKey | NPEVCJZMQGZNET-UHFFFAOYSA-N |
| INCHI | 1S/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3 |
| Isomeric SMILES | COC1=CC=C(C=C1)CC2C3=C(CCCC3)CCN2 |
| PubChem CID | 93825 |
| Molecular Weight | 257.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoquinolines and derivatives |
| Subclass | Benzylisoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylisoquinolines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzylisoquinoline - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. |
| External Descriptors | Not available |
| Molecular Weight | 257.370 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 257.178 Da |
| Monoisotopic Mass | 257.178 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 328.000 |
| 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 | 1 |
![(S)-1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline - ≥98% , CAS No.51072-36-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)