alpha-Methylbenzylaminobenzotriazole
TL;DR: alpha-Methylbenzylaminobenzotriazole (CAS 105026-61-7) is a chemical compound with molecular formula C14H14N4 and molecular weight 238.12184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-phenylethyl)benzotriazol-1-amine
Also Known As: alpha-MB, alpha-Methylbenzylaminobenzotriazole, N-(1-phenylethyl)benzotriazol-1-amine, N-alpha-Methylbenzyl-1-aminobenzotriazole, N-a-Methylbenzyl-1-aminobenzotriazole
Technical Specifications
| Molecular Formula | C14H14N4 |
| Molecular Weight | 238.12184 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.12184 Da |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
| SMILES | CC(C1=CC=CC=C1)NN2C3=CC=CC=C3N=N2 |
| InChIKey | ZNKDFAUZPHKYJI-UHFFFAOYSA-N |
Chemical Property Profile of alpha-Methylbenzylaminobenzotriazole
Property Insights of alpha-Methylbenzylaminobenzotriazole
The XLogP value of 3.4 indicates that alpha-Methylbenzylaminobenzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, alpha-Methylbenzylaminobenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methylbenzylaminobenzotriazole 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 alpha-Methylbenzylaminobenzotriazole?
The CAS number of alpha-Methylbenzylaminobenzotriazole is 105026-61-7.
What is the molecular formula of alpha-Methylbenzylaminobenzotriazole?
The molecular formula of alpha-Methylbenzylaminobenzotriazole is C14H14N4.
What is the molecular weight of alpha-Methylbenzylaminobenzotriazole?
The molecular weight of alpha-Methylbenzylaminobenzotriazole is 238.12184 g/mol.
Where can I buy alpha-Methylbenzylaminobenzotriazole?
You can request a quote for alpha-Methylbenzylaminobenzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Methylbenzylaminobenzotriazole?
Yes, CoreyChem provides custom synthesis services for alpha-Methylbenzylaminobenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.