![4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline structure](/static/products/1698/16987-28-3.webp)
4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline
TL;DR: 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline (CAS 16987-28-3) is a chemical compound with molecular formula C17H27N3 and molecular weight 273.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yliminomethyl)-N,N-diethylaniline
Also Known As: NCIOpen2_004492, 4-(azepan-1-yliminomethyl)-N,N-diethylaniline, 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline, Hexamethylenimine, N-[(p-(diethylamino)benzylidene)amino]-, 1H-Azepin-1-amine,N-[[4-(diethylamino)phenyl]methylene]hexah
| Molecular Formula | C17H27N3 |
|---|---|
| Molecular Weight | 273.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.2205 |
| Heavy Atoms | 20 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 16987-28-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=NN2CCCCCC2 |
| InChIKey | DBJDUPSNGKBPPH-UHFFFAOYSA-N |
Product Overview
4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline (CAS 16987-28-3), with molecular formula C17H27N3 and molecular weight 273.22 g/mol. IUPAC: 4-(azepan-1-yliminomethyl)-N,N-diethylaniline.
Chemical Property Profile of 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline
Property Insights of 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline
The XLogP value of 4.3 indicates that 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.8 Ų, 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline 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
Frequently Asked Questions
What is the CAS number of 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline?
The CAS number of 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline is 16987-28-3.
What is the molecular formula of 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline?
The molecular formula of 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline is C17H27N3.
What is the molecular weight of 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline?
The molecular weight of 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline is 273.22 g/mol.
Where can I buy 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline?
You can request a quote for 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Azepan-1-yl)imino]methyl}-N,N-diethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.