Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride
TL;DR: Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride (CAS 52337-89-0) is a chemical compound with molecular formula C8H13Cl2N3 and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloroethyl(2-cyanoethyl)amino]propanenitrile;hydrochloride
Also Known As: Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride, 3,3'-((2-Chloroethyl)imino)bispropanenitrile monohydrochloride, 3-[2-chloroethyl(2-cyanoethyl)amino]propanenitrile hydrochloride, 3-[2-chloroethyl(2-cyanoethyl)amino]propanenitrile,hydrochloride, Propanenitrile, 3,3'-[(2-chloroethyl)imino]bis-, monohydrochloride
| Molecular Formula | C8H13Cl2N3 |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 1.77636 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.04866 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 52337-89-0 |
|---|---|
| SMILES | C(CN(CCC#N)CCCl)C#N.Cl |
| InChIKey | VHPRRWNYSRGDGN-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride (CAS 52337-89-0), with molecular formula C8H13Cl2N3 and molecular weight 221.05 g/mol. IUPAC: 3-[2-chloroethyl(2-cyanoethyl)amino]propanenitrile;hydrochloride.
Chemical Property Profile of Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride
Property Insights of Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride
The XLogP value of 1.77636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride. With a topological polar surface area (TPSA) of 50.8 Ų, Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride has 1 hydrogen bond donor(s) and 3 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, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride?
The CAS number of Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride is 52337-89-0.
What is the molecular formula of Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride?
The molecular formula of Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride is C8H13Cl2N3.
What is the molecular weight of Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride?
The molecular weight of Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride is 221.05 g/mol.
Where can I buy Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride?
You can request a quote for Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3,3'-((2-chloroethyl)imino)bis-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.