4-(Butylamino)-3-nitrobenzoic acid
TL;DR: 4-(Butylamino)-3-nitrobenzoic acid (CAS 120321-65-5) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(butylamino)-3-nitrobenzoic acid
Also Known As: 4-(butylamino)-3-nitrobenzoic acid, 4-butylamino-3-nitrobenzoic acid, 4-butylamino-3-nitro-benzoic Acid, 4-(butylamino)-3-nitrobenzoicacid, 4-Butylamino-3-nitro-benzoesaeure
Technical Specifications
| Molecular Formula | C11H14N2O4 |
| Molecular Weight | 238.09535 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09535 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | CCCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | PATRMRVHZVOHEB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Butylamino)-3-nitrobenzoic acid
Property Insights of 4-(Butylamino)-3-nitrobenzoic acid
The XLogP value of 3.1 indicates that 4-(Butylamino)-3-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Butylamino)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(Butylamino)-3-nitrobenzoic acid has 2 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 4-(Butylamino)-3-nitrobenzoic acid?
The CAS number of 4-(Butylamino)-3-nitrobenzoic acid is 120321-65-5.
What is the molecular formula of 4-(Butylamino)-3-nitrobenzoic acid?
The molecular formula of 4-(Butylamino)-3-nitrobenzoic acid is C11H14N2O4.
What is the molecular weight of 4-(Butylamino)-3-nitrobenzoic acid?
The molecular weight of 4-(Butylamino)-3-nitrobenzoic acid is 238.09535 g/mol.
Where can I buy 4-(Butylamino)-3-nitrobenzoic acid?
You can request a quote for 4-(Butylamino)-3-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Butylamino)-3-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Butylamino)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.