3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile
TL;DR: 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile (CAS 27419-90-5) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-[2-(2-cyanoethoxy)ethyl]anilino]propanenitrile
Also Known As: Aniline, N-cyanoethyl-N-cyanoethoxyethyl-, Propanenitrile, 3-[[2-(2-cyanoethoxy)ethyl]phenylamino]-, 3-[N-[2-(2-cyanoethoxy)ethyl]anilino]propanenitrile, N-(2-(2-Cyanoethoxy)ethyl)-N-(2-cyanoethyl)aniline, Propanenitrile, 3-((2-(2-cyanoethoxy)ethyl)phenylamino)-
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 27419-90-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCC#N)CCOCCC#N |
| InChIKey | AEMNOPYAEDEKIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile (CAS 27419-90-5), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: 3-[N-[2-(2-cyanoethoxy)ethyl]anilino]propanenitrile.
Chemical Property Profile of 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile
Property Insights of 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile. Following Lipinski's Rule of Five, 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile 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 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile?
The CAS number of 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile is 27419-90-5.
What is the molecular formula of 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile?
The molecular formula of 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile is C14H17N3O.
What is the molecular weight of 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile?
The molecular weight of 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile is 243.14 g/mol.
Where can I buy 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile?
You can request a quote for 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-(2-Cyanoethoxy)ethyl)phenylamino)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.