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 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropylamino)ethyl 4-aminobenzoate;hydrochloride
Also Known As: Butethamine hydrochloride, Butethamine HCl, Ibylcaine, Monocaine, Ibylcaine hydrochloride
| Molecular Formula | C13H21ClN2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | 2.09 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.12915 |
| Heavy Atoms | 18 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 553-68-4 |
|---|---|
| SMILES | CC(C)CNCCOC(=O)C1=CC=C(C=C1)N.Cl |
| InChIKey | ARKDNMZXRXKLOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1) (CAS 553-68-4), with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol. IUPAC: 2-(2-methylpropylamino)ethyl 4-aminobenzoate;hydrochloride.
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
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 272.13 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-((2-methylpropyl)amino)-, 1-(4-aminobenzoate), hydrochloride (1:1)?
Yes, KEHONG BIO 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.