N-(4-(Diethylamino)benzylidene)aniline
TL;DR: N-(4-(Diethylamino)benzylidene)aniline (CAS 40046-95-5) is a chemical compound with molecular formula C17H20N2 and molecular weight 252.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-(phenyliminomethyl)aniline
Also Known As: 3,5-dimethylisothiocyanate, N,N-diethyl-4-(phenyliminomethyl)aniline, N,N-diethyl-4-[(E)-(phenylimino)methyl]aniline, n-(4-(diethylamino)benzylidene)aniline, N-[4-(Diethylamino)benzylidene]aniline
| Molecular Formula | C17H20N2 |
|---|---|
| Molecular Weight | 252.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.16264 |
| Heavy Atoms | 19 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 40046-95-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=NC2=CC=CC=C2 |
| InChIKey | KJRGIOPHVAQPFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-(Diethylamino)benzylidene)aniline (CAS 40046-95-5), with molecular formula C17H20N2 and molecular weight 252.16 g/mol. IUPAC: N,N-diethyl-4-(phenyliminomethyl)aniline.
Chemical Property Profile of N-(4-(Diethylamino)benzylidene)aniline
Property Insights of N-(4-(Diethylamino)benzylidene)aniline
The XLogP value of 3.7 indicates that N-(4-(Diethylamino)benzylidene)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, N-(4-(Diethylamino)benzylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-(Diethylamino)benzylidene)aniline has 0 hydrogen bond donor(s) and 2 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 N-(4-(Diethylamino)benzylidene)aniline?
The CAS number of N-(4-(Diethylamino)benzylidene)aniline is 40046-95-5.
What is the molecular formula of N-(4-(Diethylamino)benzylidene)aniline?
The molecular formula of N-(4-(Diethylamino)benzylidene)aniline is C17H20N2.
What is the molecular weight of N-(4-(Diethylamino)benzylidene)aniline?
The molecular weight of N-(4-(Diethylamino)benzylidene)aniline is 252.16 g/mol.
Where can I buy N-(4-(Diethylamino)benzylidene)aniline?
You can request a quote for N-(4-(Diethylamino)benzylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(Diethylamino)benzylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(Diethylamino)benzylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.