3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)
TL;DR: 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1) (CAS 67049-62-1) is a chemical compound with molecular formula C18H30ClNO3 and molecular weight 343.1914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-ethoxybenzoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride
Also Known As: gamma-Diethylamino-beta-dimethylpropyl-4-ethoxy benzoate hydrochloride, [3-(4-ethoxybenzoyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride, p-Ethoxybenzoic acid (3-(diethylamino)-2,2-dimethyl)propyl ester hydrochloride, Benzoic acid, p-ethoxy-, (3-(diethylamino)-2,2-dimethyl)propyl ester, hydrochloride, 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C18H30ClNO3 |
| Molecular Weight | 343.1914 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 343.1914 Da |
| Heavy Atoms | 23 |
| Complexity | 318.0 |
| SMILES | CC[NH+](CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)OCC.[Cl-] |
| InChIKey | KPWUSJIIQPZSNJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)
Property Insights of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)
The XLogP value of -0.8 indicates that 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--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 40.0 Ų, 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1) has 1 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 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1) is 67049-62-1.
What is the molecular formula of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1) is C18H30ClNO3.
What is the molecular weight of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1) is 343.1914 g/mol.
Where can I buy 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.