Sodium 4-(ethylamino)-3-nitrobenzoate
TL;DR: Sodium 4-(ethylamino)-3-nitrobenzoate (CAS 1015533-96-6) is a chemical compound with molecular formula C9H9N2NaO4 and molecular weight 232.046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 4-(ethylamino)-3-nitrobenzoate
Also Known As: sodium 4-(ethylamino)-3-nitrobenzoate, sodium;4-(ethylamino)-3-nitrobenzoate, Sodium 4-ethylamino-3-nitro-benzoate, G32192
Technical Specifications
| Molecular Formula | C9H9N2NaO4 |
| Molecular Weight | 232.046 g/mol |
| XLogP | -2.6059 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.046 Da |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
| SMILES | CCNC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | XPKKBWRIVUYYRK-UHFFFAOYSA-M |
Chemical Property Profile of Sodium 4-(ethylamino)-3-nitrobenzoate
Property Insights of Sodium 4-(ethylamino)-3-nitrobenzoate
The XLogP value of -2.6059 indicates that Sodium 4-(ethylamino)-3-nitrobenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 4-(ethylamino)-3-nitrobenzoate. Following Lipinski's Rule of Five, Sodium 4-(ethylamino)-3-nitrobenzoate has 1 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 Sodium 4-(ethylamino)-3-nitrobenzoate?
The CAS number of Sodium 4-(ethylamino)-3-nitrobenzoate is 1015533-96-6.
What is the molecular formula of Sodium 4-(ethylamino)-3-nitrobenzoate?
The molecular formula of Sodium 4-(ethylamino)-3-nitrobenzoate is C9H9N2NaO4.
What is the molecular weight of Sodium 4-(ethylamino)-3-nitrobenzoate?
The molecular weight of Sodium 4-(ethylamino)-3-nitrobenzoate is 232.046 g/mol.
Where can I buy Sodium 4-(ethylamino)-3-nitrobenzoate?
You can request a quote for Sodium 4-(ethylamino)-3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sodium 4-(ethylamino)-3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Sodium 4-(ethylamino)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.