Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)
TL;DR: Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) (CAS 553-68-4) is a chemical compound with molecular formula C13H21ClN2O2 and molecular weight 272.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methylpropylamino)ethyl 4-aminobenzoate;hydrochloride
Also Known As: Butethamine hydrochloride, Butethamine HCl, Ibylcaine, Monocaine, Ibylcaine hydrochloride
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H21ClN2O2 |
| Molecular Weight | 272.12915 g/mol |
| XLogP | 2.09 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.12915 Da |
| Heavy Atoms | 18 |
| Complexity | 223.0 |
| SMILES | CC(C)CNCCOC(=O)C1=CC=C(C=C1)N.Cl |
| InChIKey | ARKDNMZXRXKLOV-UHFFFAOYSA-N |
Product Description
Applications: Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) (CAS 553-68-4) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.13 g/mol. Synonyms include Butethamine hydrochloride and Butethamine HCl.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)
Property Insights of Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)
The XLogP value of 2.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1). The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1). Following Lipinski's Rule of Five, Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) has 3 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 Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)?
The CAS number of Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) is 553-68-4.
What is the molecular formula of Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)?
The molecular formula of Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) is C13H21ClN2O2.
What is the molecular weight of Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)?
The molecular weight of Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) is 272.12915 g/mol.
What are the applications of Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)?
Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to...
Where can I buy Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)?
You can request a quote for Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)?
Yes, CoreyChem provides custom synthesis services for Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.