1-Aminobenzotriazole
TL;DR: 1-Aminobenzotriazole (CAS 1614-12-6) is a chemical compound with molecular formula C6H6N4 and molecular weight 134.05925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzotriazol-1-amine
Also Known As: 1-aminobenzotriazole, 1H-Benzotriazol-1-amine, benzotriazol-1-amine, 1-Benzotriazolamine, 1H-benzo[d][1,2,3]triazol-1-amine
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6N4 |
| Molecular Weight | 134.05925 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.05925 Da |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| Solubility | 0.5 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC=C2C(=C1)N=NN2N |
| InChIKey | JCXKHYLLVKZPKE-UHFFFAOYSA-N |
Chemical Property Profile of 1-Aminobenzotriazole
Property Insights of 1-Aminobenzotriazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aminobenzotriazole. With a topological polar surface area (TPSA) of 56.7 Ų, 1-Aminobenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aminobenzotriazole has 1 hydrogen bond donor(s) and 3 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-Aminobenzotriazole?
The CAS number of 1-Aminobenzotriazole is 1614-12-6.
What is the molecular formula of 1-Aminobenzotriazole?
The molecular formula of 1-Aminobenzotriazole is C6H6N4.
What is the molecular weight of 1-Aminobenzotriazole?
The molecular weight of 1-Aminobenzotriazole is 134.05925 g/mol.
Where can I buy 1-Aminobenzotriazole?
You can request a quote for 1-Aminobenzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Aminobenzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-Aminobenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.