Propanenitrile, 3-(bis(2-hydroxyethyl)amino)-
TL;DR: Propanenitrile, 3-(bis(2-hydroxyethyl)amino)- (CAS 17209-72-2) is a chemical compound with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-hydroxyethyl)amino]propanenitrile
Also Known As: N-(2-Cyanoethyl)diethanolamine, 3-[Bis(2-hydroxyethyl)amino]propanenitrile, 3-(Bis(2-hydroxyethyl)amino)propanenitrile, Propanenitrile, 3-(bis(2-hydroxyethyl)amino)-, 3-(Bis(2-hydroxyethyl)amino)propionitrile
| Molecular Formula | C7H14N2O2 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.10553 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 17209-72-2 |
|---|---|
| SMILES | C(CN(CCO)CCO)C#N |
| InChIKey | ZSIRWYMANRZZPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanenitrile, 3-(bis(2-hydroxyethyl)amino)- (CAS 17209-72-2), with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol. IUPAC: 3-[bis(2-hydroxyethyl)amino]propanenitrile.
Chemical Property Profile of Propanenitrile, 3-(bis(2-hydroxyethyl)amino)-
Property Insights of Propanenitrile, 3-(bis(2-hydroxyethyl)amino)-
The XLogP value of -1.4 indicates that Propanenitrile, 3-(bis(2-hydroxyethyl)amino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-(bis(2-hydroxyethyl)amino)-. Following Lipinski's Rule of Five, Propanenitrile, 3-(bis(2-hydroxyethyl)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-(bis(2-hydroxyethyl)amino)-?
The CAS number of Propanenitrile, 3-(bis(2-hydroxyethyl)amino)- is 17209-72-2.
What is the molecular formula of Propanenitrile, 3-(bis(2-hydroxyethyl)amino)-?
The molecular formula of Propanenitrile, 3-(bis(2-hydroxyethyl)amino)- is C7H14N2O2.
What is the molecular weight of Propanenitrile, 3-(bis(2-hydroxyethyl)amino)-?
The molecular weight of Propanenitrile, 3-(bis(2-hydroxyethyl)amino)- is 158.11 g/mol.
Where can I buy Propanenitrile, 3-(bis(2-hydroxyethyl)amino)-?
You can request a quote for Propanenitrile, 3-(bis(2-hydroxyethyl)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-(bis(2-hydroxyethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-(bis(2-hydroxyethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.