2-Chloroethyldiisopropylammonium chloride
TL;DR: 2-Chloroethyldiisopropylammonium chloride (CAS 4261-68-1) is a chemical compound with molecular formula C8H19Cl2N and molecular weight 199.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride
Also Known As: 2-Diisopropylaminoethyl Chloride Hydrochloride, DIC hydrochloride, 2-(Diisopropylamino)ethyl chloride hydrochloride, 2-Propanamine, hydrochloride, 2-Chloroethyldiisopropylammonium chloride
| Molecular Formula | C8H19Cl2N |
|---|---|
| Molecular Weight | 199.09 g/mol |
| LogP | 2.77 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.08946 |
| Heavy Atoms | 11 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 4261-68-1 |
|---|---|
| SMILES | CC(C)N(CCCl)C(C)C.Cl |
| InChIKey | IUSXYVRFJVAVOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyldiisopropylammonium chloride (CAS 4261-68-1), with molecular formula C8H19Cl2N and molecular weight 199.09 g/mol. IUPAC: N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride.
Chemical Property Profile of 2-Chloroethyldiisopropylammonium chloride
Property Insights of 2-Chloroethyldiisopropylammonium chloride
The XLogP value of 2.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyldiisopropylammonium chloride. With a topological polar surface area (TPSA) of 3.2 Ų, 2-Chloroethyldiisopropylammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyldiisopropylammonium chloride has 1 hydrogen bond donor(s) and 1 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 2-Chloroethyldiisopropylammonium chloride?
The CAS number of 2-Chloroethyldiisopropylammonium chloride is 4261-68-1.
What is the molecular formula of 2-Chloroethyldiisopropylammonium chloride?
The molecular formula of 2-Chloroethyldiisopropylammonium chloride is C8H19Cl2N.
What is the molecular weight of 2-Chloroethyldiisopropylammonium chloride?
The molecular weight of 2-Chloroethyldiisopropylammonium chloride is 199.09 g/mol.
Where can I buy 2-Chloroethyldiisopropylammonium chloride?
You can request a quote for 2-Chloroethyldiisopropylammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyldiisopropylammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyldiisopropylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.