≥97% 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 | CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1)N)OC |
|---|---|
| IUPAC Name | tert-butyl 7-amino-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate |
| InChIKey | VAANHXPGGUAFIN-UHFFFAOYSA-N |
| INCHI | 1S/C15H22N2O3/c1-15(2,3)20-14(18)17-6-5-10-8-13(19-4)12(16)7-11(10)9-17/h7-8H,5-6,9,16H2,1-4H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1)N)OC |
| PubChem CID | 53439135 |
| Molecular Weight | 278.35 |
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 | Methoxyanilines Anisoles Alkyl aryl ethers Carbamate esters Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroisoquinoline - Methoxyaniline - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Carbamic acid ester - Ether - Azacycle - Organic oxide - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - 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 | 278.350 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 278.163 Da |
| Monoisotopic Mass | 278.163 Da |
| Topological Polar Surface Area | 64.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 |
