Ethanol, 2-(diethylamino)-, benzoate (1:1)
TL;DR: Ethanol, 2-(diethylamino)-, benzoate (1:1) (CAS 68052-36-8) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;2-(diethylamino)ethanol
Also Known As: Diethylethanolamine benzoate, benzoic acid,2-(diethylamino)ethanol, Ethanol, 2-(diethylamino)-, benzoate (salt), benzoic acid; 2-(diethylamino)ethanol, Ethanol, 2-(diethylamino)-, benzoate (1:1)
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 1.7053 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 68052-36-8 |
|---|---|
| SMILES | CCN(CC)CCO.C1=CC=C(C=C1)C(=O)O |
| InChIKey | HJCAIQANKIFKSW-UHFFFAOYSA-N |
Product Overview
Ethanol, 2-(diethylamino)-, benzoate (1:1) (CAS 68052-36-8), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: benzoic acid;2-(diethylamino)ethanol.
Chemical Property Profile of Ethanol, 2-(diethylamino)-, benzoate (1:1)
Property Insights of Ethanol, 2-(diethylamino)-, benzoate (1:1)
The XLogP value of 1.7053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-(diethylamino)-, benzoate (1:1). The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-(diethylamino)-, benzoate (1:1). Following Lipinski's Rule of Five, Ethanol, 2-(diethylamino)-, benzoate (1:1) has 2 hydrogen bond donor(s) and 4 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 Ethanol, 2-(diethylamino)-, benzoate (1:1)?
The CAS number of Ethanol, 2-(diethylamino)-, benzoate (1:1) is 68052-36-8.
What is the molecular formula of Ethanol, 2-(diethylamino)-, benzoate (1:1)?
The molecular formula of Ethanol, 2-(diethylamino)-, benzoate (1:1) is C13H21NO3.
What is the molecular weight of Ethanol, 2-(diethylamino)-, benzoate (1:1)?
The molecular weight of Ethanol, 2-(diethylamino)-, benzoate (1:1) is 239.15 g/mol.
Where can I buy Ethanol, 2-(diethylamino)-, benzoate (1:1)?
You can request a quote for Ethanol, 2-(diethylamino)-, benzoate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-(diethylamino)-, benzoate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-(diethylamino)-, benzoate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.