1,2-Dimethyl-1H-benzotriazolium
TL;DR: 1,2-Dimethyl-1H-benzotriazolium (CAS 45880-14-6) is a chemical compound with molecular formula C8H10N3+ and molecular weight 148.08748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dimethylbenzotriazol-1-ium
Also Known As: 1,2-dimethylbenzotriazole, 1,2-Dimethyl-1H-benzotriazolium, 1,2-dimethylbenzotriazol-1-ium, 1,2-Dimethyl-1H-benzotriazol-2-ium, 1,2-dimethyl-2h-benzotriazol-1-ium
Technical Specifications
| Molecular Formula | C8H10N3+ |
| Molecular Weight | 148.08748 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.08748 Da |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
| SMILES | CN1N=C2C=CC=CC2=[N+]1C |
| InChIKey | GAKKJHBMXZTIDY-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Dimethyl-1H-benzotriazolium
Property Insights of 1,2-Dimethyl-1H-benzotriazolium
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-1H-benzotriazolium. With a topological polar surface area (TPSA) of 21.7 Ų, 1,2-Dimethyl-1H-benzotriazolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-1H-benzotriazolium 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-1H-benzotriazolium?
The CAS number of 1,2-Dimethyl-1H-benzotriazolium is 45880-14-6.
What is the molecular formula of 1,2-Dimethyl-1H-benzotriazolium?
The molecular formula of 1,2-Dimethyl-1H-benzotriazolium is C8H10N3+.
What is the molecular weight of 1,2-Dimethyl-1H-benzotriazolium?
The molecular weight of 1,2-Dimethyl-1H-benzotriazolium is 148.08748 g/mol.
Where can I buy 1,2-Dimethyl-1H-benzotriazolium?
You can request a quote for 1,2-Dimethyl-1H-benzotriazolium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Dimethyl-1H-benzotriazolium?
Yes, CoreyChem provides custom synthesis services for 1,2-Dimethyl-1H-benzotriazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.