Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
TL;DR: Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 2618-38-4) is a chemical compound with molecular formula C13H20ClNO2 and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl benzoate;hydrochloride
Also Known As: Bencain, Hydrocaine, Bencaine, Benkain, Hydrocain
| Molecular Formula | C13H20ClNO2 |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 2.607 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.11826 |
| Heavy Atoms | 17 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 2618-38-4 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=CC=C1.Cl |
| InChIKey | WWHDJYBSTCEGPD-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 2618-38-4), with molecular formula C13H20ClNO2 and molecular weight 257.12 g/mol. IUPAC: 2-(diethylamino)ethyl benzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Property Insights of Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
The XLogP value of 2.607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1). With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (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 Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The CAS number of Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 2618-38-4.
What is the molecular formula of Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The molecular formula of Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is C13H20ClNO2.
What is the molecular weight of Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The molecular weight of Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 257.12 g/mol.
Where can I buy Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
You can request a quote for Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.