3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2)
TL;DR: 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2) (CAS 100811-87-8) is a chemical compound with molecular formula C16H28Cl2N2O3 and molecular weight 366.1477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-azaniumyl-2-ethoxybenzoyl)oxypropyl-diethylazanium dichloride
Also Known As: WIN 3698, 3-(diethylamino)propyl4-amino-2-ethoxybenzoate, 4-Amino-2-ethoxy-benzoic acid 3-(diethylamino)propyl ester dihydrochloride, 3-(4-azaniumyl-2-ethoxybenzoyl)oxypropyl-diethylazanium dichloride, 4-{[3-(diethylammonio)propoxy]carbonyl}-3-ethoxyanilinium dichloride
Technical Specifications
| Molecular Formula | C16H28Cl2N2O3 |
| Molecular Weight | 366.1477 g/mol |
| XLogP | -5.56 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.1477 Da |
| Heavy Atoms | 23 |
| Complexity | 295.0 |
| SMILES | CC[NH+](CC)CCCOC(=O)C1=C(C=C(C=C1)[NH3+])OCC.[Cl-].[Cl-] |
| InChIKey | ISBJHVKLCZWDPA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2)
Property Insights of 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2)
The XLogP value of -5.56 indicates that 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2). Following Lipinski's Rule of Five, 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2)?
The CAS number of 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2) is 100811-87-8.
What is the molecular formula of 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2)?
The molecular formula of 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2) is C16H28Cl2N2O3.
What is the molecular weight of 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2)?
The molecular weight of 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2) is 366.1477 g/mol.
Where can I buy 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2)?
You can request a quote for 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2)?
Yes, CoreyChem provides custom synthesis services for 3-(Diethylamino)propyl 4-amino-2-ethoxybenzoate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.