3-(2-Ethoxyanilino)propanenitrile
TL;DR: 3-(2-Ethoxyanilino)propanenitrile (CAS 92-64-8) is a chemical compound with molecular formula C11H14N2O and molecular weight 190.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethoxyanilino)propanenitrile
Also Known As: Emery 5724, 3-[(2-ethoxyphenyl)amino]propanenitrile, Cyclohexylcyanoethylethanolamine, 3-(2-ethoxyanilino)propanenitrile, N-(2-ethoxy-phenyl)-beta-alanine nitrile
| Molecular Formula | C11H14N2O |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.11061 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 92-64-8 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NCCC#N |
| InChIKey | VATFTWNXRDYZLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Ethoxyanilino)propanenitrile (CAS 92-64-8), with molecular formula C11H14N2O and molecular weight 190.11 g/mol. IUPAC: 3-(2-ethoxyanilino)propanenitrile.
Chemical Property Profile of 3-(2-Ethoxyanilino)propanenitrile
Property Insights of 3-(2-Ethoxyanilino)propanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Ethoxyanilino)propanenitrile. With a topological polar surface area (TPSA) of 45.1 Ų, 3-(2-Ethoxyanilino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Ethoxyanilino)propanenitrile has 1 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 3-(2-Ethoxyanilino)propanenitrile?
The CAS number of 3-(2-Ethoxyanilino)propanenitrile is 92-64-8.
What is the molecular formula of 3-(2-Ethoxyanilino)propanenitrile?
The molecular formula of 3-(2-Ethoxyanilino)propanenitrile is C11H14N2O.
What is the molecular weight of 3-(2-Ethoxyanilino)propanenitrile?
The molecular weight of 3-(2-Ethoxyanilino)propanenitrile is 190.11 g/mol.
Where can I buy 3-(2-Ethoxyanilino)propanenitrile?
You can request a quote for 3-(2-Ethoxyanilino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Ethoxyanilino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Ethoxyanilino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.