![4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline structure](/static/products/696/6961-21-3.png)
4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline
TL;DR: 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline (CAS 6961-21-3) is a chemical compound with molecular formula C13H13N3 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(4-iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline
Also Known As: 4-[[(4-iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline, (4-Aminobenzyl)(4-iminocyclohexa-2,5-dien-1-ylidene)amine, 4-(((4-iminocyclohexa-2,5-dien-1-ylidene)amino)methyl)aniline, 4-({[(1e,4e)-4-iminocyclohexa-2,5-dien-1-ylidene]amino}methyl)aniline
| Molecular Formula | C13H13N3 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.11095 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 6961-21-3 |
|---|---|
| SMILES | C1=CC(=NCC2=CC=C(C=C2)N)C=CC1=N |
| InChIKey | KUUJKGQZBVGDPE-UHFFFAOYSA-N |
Product Overview
4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline (CAS 6961-21-3), with molecular formula C13H13N3 and molecular weight 211.11 g/mol. IUPAC: 4-[[(4-iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline.
Chemical Property Profile of 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline
Property Insights of 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]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]methyl]aniline. Following Lipinski's Rule of Five, 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]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
Frequently Asked Questions
What is the CAS number of 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline?
The CAS number of 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline is 6961-21-3.
What is the molecular formula of 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline?
The molecular formula of 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline is C13H13N3.
What is the molecular weight of 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline?
The molecular weight of 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline is 211.11 g/mol.
Where can I buy 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline?
You can request a quote for 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(4-Iminocyclohexa-2,5-dien-1-ylidene)amino]methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.