Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride
TL;DR: Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride (CAS 52337-92-5) is a chemical compound with molecular formula C9H18Cl2N2 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[butyl(2-chloroethyl)amino]propanenitrile;hydrochloride
Also Known As: Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride, 3-(Butyl(2-chloroethyl)amino)propanenitrile monohydrochloride, 3-[butyl(2-chloroethyl)amino]propanenitrile hydrochloride, 3-[butyl(2-chloroethyl)amino]propanenitrile,hydrochloride, Propanenitrile, 3-[butyl(2-chloroethyl)amino]-, monohydrochloride
| Molecular Formula | C9H18Cl2N2 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 2.66278 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.0847 |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 52337-92-5 |
|---|---|
| SMILES | CCCCN(CCC#N)CCCl.Cl |
| InChIKey | ZIXZZQJELBXOMX-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride (CAS 52337-92-5), with molecular formula C9H18Cl2N2 and molecular weight 224.08 g/mol. IUPAC: 3-[butyl(2-chloroethyl)amino]propanenitrile;hydrochloride.
Chemical Property Profile of Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride
Property Insights of Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride
The XLogP value of 2.66278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride. With a topological polar surface area (TPSA) of 27.0 Ų, Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, 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-(butyl(2-chloroethyl)amino)-, monohydrochloride?
The CAS number of Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride is 52337-92-5.
What is the molecular formula of Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride?
The molecular formula of Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride is C9H18Cl2N2.
What is the molecular weight of Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride?
The molecular weight of Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride is 224.08 g/mol.
Where can I buy Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride?
You can request a quote for Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, 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-(butyl(2-chloroethyl)amino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-(butyl(2-chloroethyl)amino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.