Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride
TL;DR: Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride (CAS 52337-90-3) is a chemical compound with molecular formula C6H12Cl2N2 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloroethyl(methyl)amino]propanenitrile;hydrochloride
Also Known As: Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride, 3-((2-Chloroethyl)methylamino)propanenitrile monohydrochloride, 3-[2-chloroethyl(methyl)amino]propanenitrile hydrochloride, Propanenitrile, 3-[(2-chloroethyl)methylamino]-, monohydrochloride, 3-[(2-Chloroethyl)(methyl)amino]propanenitrile--hydrogen chloride (1/1)
| Molecular Formula | C6H12Cl2N2 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.49248 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.03775 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 52337-90-3 |
|---|---|
| SMILES | CN(CCC#N)CCCl.Cl |
| InChIKey | ZUTFTRGJJFMSCT-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride (CAS 52337-90-3), with molecular formula C6H12Cl2N2 and molecular weight 182.04 g/mol. IUPAC: 3-[2-chloroethyl(methyl)amino]propanenitrile;hydrochloride.
Chemical Property Profile of Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride
Property Insights of Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride
The XLogP value of 1.49248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride. With a topological polar surface area (TPSA) of 27.0 Ų, Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-((2-chloroethyl)methylamino)-, 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)methylamino)-, monohydrochloride?
The CAS number of Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride is 52337-90-3.
What is the molecular formula of Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride?
The molecular formula of Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride is C6H12Cl2N2.
What is the molecular weight of Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride?
The molecular weight of Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride is 182.04 g/mol.
Where can I buy Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride?
You can request a quote for Propanenitrile, 3-((2-chloroethyl)methylamino)-, 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)methylamino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((2-chloroethyl)methylamino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.