![Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- structure](/static/products/6831/68310-66-7.webp)
Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-
TL;DR: Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- (CAS 68310-66-7) is a chemical compound with molecular formula C9H18N4 and molecular weight 182.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-piperazin-1-ylethylamino)propanenitrile
Also Known As: N-(2-((2-Cyanoethyl)amino)ethyl)piperazine, 3-[[2- ethyl]amino]propiononitrile, Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-, 3-(2-piperazin-1-ylethylamino)propanenitrile, Propanenitrile, 3-((2-(1-piperazinyl)ethyl)amino)-
| Molecular Formula | C9H18N4 |
|---|---|
| Molecular Weight | 182.15 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.15315 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 68310-66-7 |
|---|---|
| SMILES | C1CN(CCN1)CCNCCC#N |
| InChIKey | NSYHEQFRUDHVBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- (CAS 68310-66-7), with molecular formula C9H18N4 and molecular weight 182.15 g/mol. IUPAC: 3-(2-piperazin-1-ylethylamino)propanenitrile.
Chemical Property Profile of Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-
Property Insights of Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-
The XLogP value of -1.1 indicates that Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.1 Ų, Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- has 2 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 Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-?
The CAS number of Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- is 68310-66-7.
What is the molecular formula of Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-?
The molecular formula of Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- is C9H18N4.
What is the molecular weight of Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-?
The molecular weight of Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- is 182.15 g/mol.
Where can I buy Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-?
You can request a quote for Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-[[2-(1-piperazinyl)ethyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.