Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)
TL;DR: Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) (CAS 69781-15-3) is a chemical compound with molecular formula C13H22N2O6S and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-aminobenzoyl)oxy-2-methylpropan-2-yl]-ethylazanium;hydrogen sulfate
Also Known As: C13H20N2O2.1/2H2O4S, m-Aminobenzoic acid (2-(ethylamino)-2-methyl)propyl ester hydrogen sulfate, C13-H20-N2-O2.1/2H2-O4-S, BENZOIC ACID, m-AMINO-, (2-(ETHYLAMINO)-2-METHYL)PROPYL ESTER, HYDROGEN SULFATE, Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)
| Molecular Formula | C13H22N2O6S |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | -0.21 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.11984 |
| Heavy Atoms | 22 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 69781-15-3 |
|---|---|
| SMILES | CC[NH2+]C(C)(C)COC(=O)C1=CC(=CC=C1)N.OS(=O)(=O)[O-] |
| InChIKey | XJAALXCZVFIONJ-UHFFFAOYSA-N |
Product Overview
Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) (CAS 69781-15-3), with molecular formula C13H22N2O6S and molecular weight 334.12 g/mol. IUPAC: [1-(3-aminobenzoyl)oxy-2-methylpropan-2-yl]-ethylazanium;hydrogen sulfate.
Chemical Property Profile of Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)
Property Insights of Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)
The XLogP value of -0.21 indicates that Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) has 3 hydrogen bond donor(s) and 7 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 Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)?
The CAS number of Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) is 69781-15-3.
What is the molecular formula of Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)?
The molecular formula of Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) is C13H22N2O6S.
What is the molecular weight of Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)?
The molecular weight of Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) is 334.12 g/mol.
Where can I buy Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)?
You can request a quote for Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Sulfuric acid--2-(ethylamino)-2-methylpropyl 3-aminobenzoate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.