1,2,3,4-Tetrahydroisoquinoline
TL;DR: 1,2,3,4-Tetrahydroisoquinoline (CAS 91-21-4) is a chemical compound with molecular formula C9H11N and molecular weight 133.08914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4-tetrahydroisoquinoline
Also Known As: 1,2,3,4-Tetrahydroisoquinoline, Tetrahydroisoquinoline, 1,2,3,4-Tetrahydro-isoquinoline, tetrahydro-isoquinoline, tetrahydroisoquinolin
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11N |
| Molecular Weight | 133.08914 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.08914 Da |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
| Melting Point | < -15 °C |
| SMILES | C1CNCC2=CC=CC=C21 |
| InChIKey | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
Product Description
Applications: 1,2,3,4-Tetrahydroisoquinoline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 1,2,3,4-Tetrahydroisoquinoline (CAS 91-21-4) has the molecular formula C9H11N and a molecular weight of 133.09 g/mol. Synonyms include 1,2,3,4-Tetrahydroisoquinoline and Tetrahydroisoquinoline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,2,3,4-Tetrahydroisoquinoline
Property Insights of 1,2,3,4-Tetrahydroisoquinoline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 12.0 Ų, 1,2,3,4-Tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydroisoquinoline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,3,4-Tetrahydroisoquinoline?
The CAS number of 1,2,3,4-Tetrahydroisoquinoline is 91-21-4.
What is the molecular formula of 1,2,3,4-Tetrahydroisoquinoline?
The molecular formula of 1,2,3,4-Tetrahydroisoquinoline is C9H11N.
What is the molecular weight of 1,2,3,4-Tetrahydroisoquinoline?
The molecular weight of 1,2,3,4-Tetrahydroisoquinoline is 133.08914 g/mol.
What are the applications of 1,2,3,4-Tetrahydroisoquinoline?
1,2,3,4-Tetrahydroisoquinoline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 1,2,3,4-Tetrahydroisoquinoline?
You can request a quote for 1,2,3,4-Tetrahydroisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,4-Tetrahydroisoquinoline?
Yes, CoreyChem provides custom synthesis services for 1,2,3,4-Tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.