Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine
TL;DR: Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine (CAS 122062-65-1) is a chemical compound with molecular formula C13H11N5O2 and molecular weight 269.09128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(benzotriazol-1-ylmethyl)-3-nitroaniline
Also Known As: Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine, N-(benzotriazol-1-ylmethyl)-3-nitroaniline, BAS 00117050, (benzotriazolylmethyl)(3-nitrophenyl)amine, N-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-3-nitroaniline
Technical Specifications
| Molecular Formula | C13H11N5O2 |
| Molecular Weight | 269.09128 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.09128 Da |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | FSJMZFUALNDQSF-UHFFFAOYSA-N |
Chemical Property Profile of Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine
Property Insights of Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine. Following Lipinski's Rule of Five, Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine?
The CAS number of Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine is 122062-65-1.
What is the molecular formula of Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine?
The molecular formula of Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine is C13H11N5O2.
What is the molecular weight of Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine?
The molecular weight of Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine is 269.09128 g/mol.
Where can I buy Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine?
You can request a quote for Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine?
Yes, CoreyChem provides custom synthesis services for Benzotriazol-1-ylmethyl-(3-nitro-phenyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.