Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride
TL;DR: Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride (CAS 52337-91-4) is a chemical compound with molecular formula C7H14Cl2N2 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloroethyl(ethyl)amino]propanenitrile;hydrochloride
Also Known As: Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride, 3-((2-Chloroethyl)ethylamino)propanenitrile monohydrochloride, 3-[2-chloroethyl(ethyl)amino]propanenitrile hydrochloride, 3-[2-chloroethyl(ethyl)amino]propanenitrile,hydrochloride, Propanenitrile, 3-[(2-chloroethyl)ethylamino]-, monohydrochloride
| Molecular Formula | C7H14Cl2N2 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.88258 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0534 |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 52337-91-4 |
|---|---|
| SMILES | CCN(CCC#N)CCCl.Cl |
| InChIKey | ZINJFDKLICITGN-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride (CAS 52337-91-4), with molecular formula C7H14Cl2N2 and molecular weight 196.05 g/mol. IUPAC: 3-[2-chloroethyl(ethyl)amino]propanenitrile;hydrochloride.
Chemical Property Profile of Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride
Property Insights of Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride
The XLogP value of 1.88258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride. With a topological polar surface area (TPSA) of 27.0 Ų, Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride has 1 hydrogen bond donor(s) and 2 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-chloroethyl)ethylamino)-, monohydrochloride?
The CAS number of Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride is 52337-91-4.
What is the molecular formula of Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride?
The molecular formula of Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride is C7H14Cl2N2.
What is the molecular weight of Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride?
The molecular weight of Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride is 196.05 g/mol.
Where can I buy Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride?
You can request a quote for Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride 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-chloroethyl)ethylamino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((2-chloroethyl)ethylamino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.