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 190.11061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.11061 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.11061 Da |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
| SMILES | CCOC1=CC=CC=C1NCCC#N |
| InChIKey | VATFTWNXRDYZLE-UHFFFAOYSA-N |
Product Description
Applications: 3-(2-Ethoxyanilino)propanenitrile is used in complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A organic building block supplied by CoreyChem, 3-(2-Ethoxyanilino)propanenitrile (CAS 92-64-8) has the molecular formula C11H14N2O and a molecular weight of 190.11 g/mol. Synonyms include Emery 5724 and 3-[(2-ethoxyphenyl)amino]propanenitrile.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 190.11061 g/mol.
What are the applications of 3-(2-Ethoxyanilino)propanenitrile?
3-(2-Ethoxyanilino)propanenitrile is used in complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy 3-(2-Ethoxyanilino)propanenitrile?
You can request a quote for 3-(2-Ethoxyanilino)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Ethoxyanilino)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(2-Ethoxyanilino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.