![(NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline structure](/static/products/1257/125781-61-5.webp)
(NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline
TL;DR: (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline (CAS 125781-61-5) is a chemical compound with molecular formula C14H12N4 and molecular weight 236.1062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzotriazol-1-yl)-N-phenylethanimine
Also Known As: (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline, 1-(benzotriazol-1-yl)-N-phenylethanimine, 1-[1-(Phenylimino)ethyl]-1H-benzotriazole, 1-benzotriazol-1-yl-N-phenyl-ethanimine, 1-(benzotriazol-1-yl)-N-phenyl-ethanimine
Technical Specifications
| Molecular Formula | C14H12N4 |
| Molecular Weight | 236.1062 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.1062 Da |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
| SMILES | CC(=NC1=CC=CC=C1)N2C3=CC=CC=C3N=N2 |
| InChIKey | WQIJOJWPMMSZRI-UHFFFAOYSA-N |
Chemical Property Profile of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline
Property Insights of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline. With a topological polar surface area (TPSA) of 43.1 Ų, (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline has 0 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 (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline?
The CAS number of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline is 125781-61-5.
What is the molecular formula of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline?
The molecular formula of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline is C14H12N4.
What is the molecular weight of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline?
The molecular weight of (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline is 236.1062 g/mol.
Where can I buy (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline?
You can request a quote for (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline?
Yes, CoreyChem provides custom synthesis services for (NE)-N-[1-(1H-1,2,3-Benzotriazol-1-yl)ethylidene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.