2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1) (CAS 100811-81-2) is a chemical compound with molecular formula C13H20Cl2N2O2 and molecular weight 306.09018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-amino-4-chlorobenzoyl)oxyethyl-diethylazanium chloride
Also Known As: Proparacaine Impurity 18 HCl, REC 1-0059, 3-Amino-4-chlorobenzoic acid 2-((diethylamino)ethyl) ester hydrochloride, 2-(3-amino-4-chlorobenzoyl)oxyethyl-diethylazanium chloride, 2-(3-amino-4-chlorobenzoyl)oxyethyl-diethylazanium;chloride
Technical Specifications
| Molecular Formula | C13H20Cl2N2O2 |
| Molecular Weight | 306.09018 g/mol |
| XLogP | -1.99 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.09018 Da |
| Heavy Atoms | 19 |
| Complexity | 259.0 |
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC(=C(C=C1)Cl)N.[Cl-] |
| InChIKey | CPOLGWZCPZLZOK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1)
The XLogP value of -1.99 indicates that 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--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 56.8 Ų, 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (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
What is the CAS number of 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1) is 100811-81-2.
What is the molecular formula of 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1) is C13H20Cl2N2O2.
What is the molecular weight of 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1) is 306.09018 g/mol.
Where can I buy 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 2-(Diethylamino)ethyl 3-amino-4-chlorobenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.