![4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline structure](/static/products/1017/101-78-0.webp)
4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline
TL;DR: 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline (CAS 101-78-0) is a chemical compound with molecular formula C12H11N3 and molecular weight 197.09529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-iminocyclohexa-2,5-dien-1-ylidene)amino]aniline
Also Known As: N-(4-Aminophenyl)-2,5-cyclohexadiene-1,4-diimine, 4-[(4-iminocyclohexa-2,5-dien-1-ylidene)amino]aniline, 4-[(4-imino-1-cyclohexa-2,5-dienylidene)amino]aniline, N-(4-Imino-2,5-cyclohexadien-1-ylidene)-1,4-benzenediamine, N1-(4-Imino-2,5-cyclohexadien-1-ylidene)-1,4-benzenediamine
Technical Specifications
| Molecular Formula | C12H11N3 |
| Molecular Weight | 197.09529 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.09529 Da |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
| SMILES | C1=CC(=NC2=CC=C(C=C2)N)C=CC1=N |
| InChIKey | DAXPSYSIIHBWMK-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline
Property Insights of 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline. Following Lipinski's Rule of Five, 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline has 2 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 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline?
The CAS number of 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline is 101-78-0.
What is the molecular formula of 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline?
The molecular formula of 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline is C12H11N3.
What is the molecular weight of 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline?
The molecular weight of 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline is 197.09529 g/mol.
Where can I buy 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline?
You can request a quote for 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline?
Yes, CoreyChem provides custom synthesis services for 4-[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.