2-Amino-3-cyanoisoquinolinium
TL;DR: 2-Amino-3-cyanoisoquinolinium (CAS 120332-82-3) is a chemical compound with molecular formula C10H8N3+ and molecular weight 170.07182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-aminoisoquinolin-2-ium-3-carbonitrile
Also Known As: 2-amino-3-cyanoisoquinolinium, 2-Amino-3-cyanoisoquinolin-2-ium, 2-aminoisoquinoline-3-carbonitrile, 2-aminoisoquinolin-2-ium-3-carbonitrile, AJ-374/34385017
Technical Specifications
| Molecular Formula | C10H8N3+ |
| Molecular Weight | 170.07182 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 53.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.07182 Da |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
| SMILES | C1=CC=C2C=[N+](C(=CC2=C1)C#N)N |
| InChIKey | COWWRASJIYYNSJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-3-cyanoisoquinolinium
Property Insights of 2-Amino-3-cyanoisoquinolinium
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-cyanoisoquinolinium. With a topological polar surface area (TPSA) of 53.7 Ų, 2-Amino-3-cyanoisoquinolinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-3-cyanoisoquinolinium has 1 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 2-Amino-3-cyanoisoquinolinium?
The CAS number of 2-Amino-3-cyanoisoquinolinium is 120332-82-3.
What is the molecular formula of 2-Amino-3-cyanoisoquinolinium?
The molecular formula of 2-Amino-3-cyanoisoquinolinium is C10H8N3+.
What is the molecular weight of 2-Amino-3-cyanoisoquinolinium?
The molecular weight of 2-Amino-3-cyanoisoquinolinium is 170.07182 g/mol.
Where can I buy 2-Amino-3-cyanoisoquinolinium?
You can request a quote for 2-Amino-3-cyanoisoquinolinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-3-cyanoisoquinolinium?
Yes, CoreyChem provides custom synthesis services for 2-Amino-3-cyanoisoquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.