1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide
TL;DR: 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide (CAS 121064-27-5) is a chemical compound with molecular formula C16H21IN2 and molecular weight 368.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide
Also Known As: 3,4-Dihydro-1-(3-cyanopropyl)-2,3,3-trimethylisoquinolinium iodide, Isoquinolinium, 3,4-dihydro-1-(3-cyanopropyl)-2,3,3-trimethyl-, iodide, 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide, 4-(2,3,3-trimethyl-3,4-dihydroisoquinolyl)butanenitrile, iodide, 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide
Technical Specifications
| Molecular Formula | C16H21IN2 |
| Molecular Weight | 368.07495 g/mol |
| XLogP | 0.15058 |
| Topological Polar Surface Area (TPSA) | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.07495 Da |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
| SMILES | CC1(CC2=CC=CC=C2C(=[N+]1C)CCCC#N)C.[I-] |
| InChIKey | CBVPCKKDCBAJFO-UHFFFAOYSA-M |
Chemical Property Profile of 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide
Property Insights of 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide
The XLogP value of 0.15058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide. With a topological polar surface area (TPSA) of 26.8 Ų, 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide has 0 hydrogen bond donor(s) and 2 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-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide?
The CAS number of 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide is 121064-27-5.
What is the molecular formula of 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide?
The molecular formula of 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide is C16H21IN2.
What is the molecular weight of 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide?
The molecular weight of 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide is 368.07495 g/mol.
Where can I buy 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide?
You can request a quote for 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide?
Yes, CoreyChem provides custom synthesis services for 1-(3-Cyanopropyl)-2,3,3-trimethyl-3,4-dihydroisoquinolin-2-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.