4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile
TL;DR: 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile (CAS 68310-67-8) is a chemical compound with molecular formula C12H21N5 and molecular weight 235.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(2-cyanoethyl)piperazin-1-yl]ethylamino]propanenitrile
Also Known As: 1-Piperazinepropanenitrile, 4-[2-[(2-cyanoethyl)amino]ethyl]-, 1-Piperazinepropanenitrile, 4-(2-((2-cyanoethyl)amino)ethyl)-, 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile, 4-(2-((2-Cyanoethyl)amino)ethyl)piperazine-1-propiononitrile, N-(2-Cyanoethyl)-N'-(2-((2-cyanoethyl)amino)ethyl)piperazine
| Molecular Formula | C12H21N5 |
|---|---|
| Molecular Weight | 235.18 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 235.1797 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 68310-67-8 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)CCNCCC#N |
| InChIKey | QMRVFUMUYZCMJR-UHFFFAOYSA-N |
Product Overview
4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile (CAS 68310-67-8), with molecular formula C12H21N5 and molecular weight 235.18 g/mol. IUPAC: 3-[2-[4-(2-cyanoethyl)piperazin-1-yl]ethylamino]propanenitrile.
Chemical Property Profile of 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile
Property Insights of 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile
The XLogP value of -1.0 indicates that 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile. Following Lipinski's Rule of Five, 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile has 1 hydrogen bond donor(s) and 5 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 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile?
The CAS number of 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile is 68310-67-8.
What is the molecular formula of 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile?
The molecular formula of 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile is C12H21N5.
What is the molecular weight of 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile?
The molecular weight of 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile is 235.18 g/mol.
Where can I buy 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile?
You can request a quote for 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((2-Cyanoethyl)amino)ethyl)-1-piperazinepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.