N-Cyanoethyl-N-acetoxyethylaniline
TL;DR: N-Cyanoethyl-N-acetoxyethylaniline (CAS 22031-33-0) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)anilino]ethyl acetate
Also Known As: Acetoxylin, N-cyanoethyl-N-acetoxyethyl aniline, N-Cyanoethyl-N-acetoxyethylaniline, 2-[N-(2-Cyanoethyl)anilino]ethyl acetate, 2-((2-Cyanoethyl)(phenyl)amino)ethyl acetate
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 22031-33-0 |
|---|---|
| SMILES | CC(=O)OCCN(CCC#N)C1=CC=CC=C1 |
| InChIKey | RRGWFPOSTSQIQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Cyanoethyl-N-acetoxyethylaniline (CAS 22031-33-0), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 2-[N-(2-cyanoethyl)anilino]ethyl acetate.
Chemical Property Profile of N-Cyanoethyl-N-acetoxyethylaniline
Property Insights of N-Cyanoethyl-N-acetoxyethylaniline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyanoethyl-N-acetoxyethylaniline. With a topological polar surface area (TPSA) of 53.3 Ų, N-Cyanoethyl-N-acetoxyethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Cyanoethyl-N-acetoxyethylaniline has 0 hydrogen bond donor(s) and 4 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-Cyanoethyl-N-acetoxyethylaniline?
The CAS number of N-Cyanoethyl-N-acetoxyethylaniline is 22031-33-0.
What is the molecular formula of N-Cyanoethyl-N-acetoxyethylaniline?
The molecular formula of N-Cyanoethyl-N-acetoxyethylaniline is C13H16N2O2.
What is the molecular weight of N-Cyanoethyl-N-acetoxyethylaniline?
The molecular weight of N-Cyanoethyl-N-acetoxyethylaniline is 232.12 g/mol.
Where can I buy N-Cyanoethyl-N-acetoxyethylaniline?
You can request a quote for N-Cyanoethyl-N-acetoxyethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyanoethyl-N-acetoxyethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Cyanoethyl-N-acetoxyethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.