2-(Diisopropylamino)ethyl chloride
TL;DR: 2-(Diisopropylamino)ethyl chloride (CAS 96-79-7) is a chemical compound with molecular formula C8H18ClN and molecular weight 163.11 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
Also Known As: 2-(Diisopropylamino)ethyl chloride, 2-Chloro-N,N-diisopropylethylamine, N,N-Diisopropyl-2-chloroethylamine, 1-Chloro-2-diisopropylaminoethane, N-(2-Chloroethyl)diisopropylamine
| Molecular Formula | C8H18ClN |
|---|---|
| Molecular Weight | 163.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.11278 |
| Heavy Atoms | 10 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 96-79-7 |
|---|---|
| SMILES | CC(C)N(CCCl)C(C)C |
| InChIKey | DBVADBHSJCWFKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Diisopropylamino)ethyl chloride (CAS 96-79-7), with molecular formula C8H18ClN and molecular weight 163.11 g/mol. IUPAC: N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine.
Chemical Property Profile of 2-(Diisopropylamino)ethyl chloride
Property Insights of 2-(Diisopropylamino)ethyl chloride
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diisopropylamino)ethyl chloride. With a topological polar surface area (TPSA) of 3.2 Ų, 2-(Diisopropylamino)ethyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diisopropylamino)ethyl chloride has 0 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-(Diisopropylamino)ethyl chloride?
The CAS number of 2-(Diisopropylamino)ethyl chloride is 96-79-7.
What is the molecular formula of 2-(Diisopropylamino)ethyl chloride?
The molecular formula of 2-(Diisopropylamino)ethyl chloride is C8H18ClN.
What is the molecular weight of 2-(Diisopropylamino)ethyl chloride?
The molecular weight of 2-(Diisopropylamino)ethyl chloride is 163.11 g/mol.
Where can I buy 2-(Diisopropylamino)ethyl chloride?
You can request a quote for 2-(Diisopropylamino)ethyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diisopropylamino)ethyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diisopropylamino)ethyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.