![3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile structure](/static/products/696/69680-01-9.png)
3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile
TL;DR: 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile (CAS 69680-01-9) is a chemical compound with molecular formula C8H13N3O and molecular weight 167.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-cyanoethyl(2-hydroxyethyl)amino]propanenitrile
Also Known As: 3-[2-cyanoethyl(2-hydroxyethyl)amino]propanenitrile, 3,3'-[(2-hydroxyethyl)imino]dipropanenitrile, 3-(2-CYANOETHYL-(2-HYDROXYETHYL)AMINO)PROPANENITRILE, N,N-Bis(2-cyanoethyl)-2-hydroxyethylamine, 3,3'-[(2-Hydroxyethyl)azanediyl]dipropanenitrile
| Molecular Formula | C8H13N3O |
|---|---|
| Molecular Weight | 167.11 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 167.10587 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 69680-01-9 |
|---|---|
| SMILES | C(CN(CCC#N)CCO)C#N |
| InChIKey | KFCMMJDSUVSXAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile (CAS 69680-01-9), with molecular formula C8H13N3O and molecular weight 167.11 g/mol. IUPAC: 3-[2-cyanoethyl(2-hydroxyethyl)amino]propanenitrile.
Chemical Property Profile of 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile
Property Insights of 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile
The XLogP value of -1.0 indicates that 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile. Following Lipinski's Rule of Five, 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile has 1 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-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile?
The CAS number of 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile is 69680-01-9.
What is the molecular formula of 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile?
The molecular formula of 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile is C8H13N3O.
What is the molecular weight of 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile?
The molecular weight of 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile is 167.11 g/mol.
Where can I buy 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile?
You can request a quote for 3-[2-Cyanoethyl(2-hydroxyethyl)amino]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-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-Cyanoethyl(2-hydroxyethyl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.