2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1)
TL;DR: 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) (CAS 74038-54-3) is a chemical compound with molecular formula C14H30ClNO2 and molecular weight 279.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(2-ethylhexanoyloxy)ethyl]azanium chloride
Also Known As: 2-(Diethylamino)ethyl 2-ethylhexanoate hydrochloride, Ethyl-butyl acetate du diethylamino-ethanol, Ethyl-butyl acetate du diethylamino-ethanol [French], diethyl-[2-(2-ethylhexanoyloxy)ethyl]azanium chloride, Ethanol, 2-(diethylamino)-, 2-ethylhexanoate, hydrochloride
| Molecular Formula | C14H30ClNO2 |
|---|---|
| Molecular Weight | 279.20 g/mol |
| LogP | -1.33 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 279.1965 |
| Heavy Atoms | 18 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 74038-54-3 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | JUYHQBIYLJISDR-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) (CAS 74038-54-3), with molecular formula C14H30ClNO2 and molecular weight 279.20 g/mol. IUPAC: diethyl-[2-(2-ethylhexanoyloxy)ethyl]azanium chloride.
Chemical Property Profile of 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1)
Property Insights of 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1)
The XLogP value of -1.33 indicates that 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) 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 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1)?
The CAS number of 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) is 74038-54-3.
What is the molecular formula of 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) is C14H30ClNO2.
What is the molecular weight of 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) is 279.20 g/mol.
Where can I buy 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 2-ethylhexanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.