alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine
TL;DR: alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine (CAS 122062-68-4) 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-(benzotriazol-1-yl)ethyl]aniline
Also Known As: N-[1-(benzotriazol-1-yl)ethyl]aniline, alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine, (benzotriazolylethyl)phenylamine, N-(1-benzotriazol-1-ylethyl)aniline, N-(1-(1H-Benzo[d][1,2,3]triazol-1-yl)ethyl)aniline
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(NC1=CC=CC=C1)N2C3=CC=CC=C3N=N2 |
| InChIKey | HLIOCSMHAVCKMV-UHFFFAOYSA-N |
Chemical Property Profile of alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine
Property Insights of alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine
The XLogP value of 3.4 indicates that alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine 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-Methyl-N-phenyl-1H-benzotriazole-1-methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine 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-Methyl-N-phenyl-1H-benzotriazole-1-methanamine?
The CAS number of alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine is 122062-68-4.
What is the molecular formula of alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine?
The molecular formula of alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine is C14H14N4.
What is the molecular weight of alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine?
The molecular weight of alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine is 238.12184 g/mol.
Where can I buy alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine?
You can request a quote for alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine?
Yes, CoreyChem provides custom synthesis services for alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.