1,2-Dimethyl-1,2-dihydroisoquinoline
TL;DR: 1,2-Dimethyl-1,2-dihydroisoquinoline (CAS 104860-88-0) is a chemical compound with molecular formula C11H13N and molecular weight 159.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dimethyl-1H-isoquinoline
Also Known As: 1,2-dimethyl-1,2-dihydroisoquinoline, Heptane,2,2-diethoxy, 1,2-dimethyl-1H-isoquinoline, KST-1B4777, J1.049.805H
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13N |
| Molecular Weight | 159.1048 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.1048 Da |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
| SMILES | CC1C2=CC=CC=C2C=CN1C |
| InChIKey | BDNDHRWEHJKIRO-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Dimethyl-1,2-dihydroisoquinoline
Property Insights of 1,2-Dimethyl-1,2-dihydroisoquinoline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-1,2-dihydroisoquinoline. With a topological polar surface area (TPSA) of 3.2 Ų, 1,2-Dimethyl-1,2-dihydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-1,2-dihydroisoquinoline has 0 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-Dimethyl-1,2-dihydroisoquinoline?
The CAS number of 1,2-Dimethyl-1,2-dihydroisoquinoline is 104860-88-0.
What is the molecular formula of 1,2-Dimethyl-1,2-dihydroisoquinoline?
The molecular formula of 1,2-Dimethyl-1,2-dihydroisoquinoline is C11H13N.
What is the molecular weight of 1,2-Dimethyl-1,2-dihydroisoquinoline?
The molecular weight of 1,2-Dimethyl-1,2-dihydroisoquinoline is 159.1048 g/mol.
Where can I buy 1,2-Dimethyl-1,2-dihydroisoquinoline?
You can request a quote for 1,2-Dimethyl-1,2-dihydroisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Dimethyl-1,2-dihydroisoquinoline?
Yes, CoreyChem provides custom synthesis services for 1,2-Dimethyl-1,2-dihydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.