3-Nitropropionic acid
TL;DR: 3-Nitropropionic acid (CAS 504-88-1) is a chemical compound with molecular formula C3H5NO4 and molecular weight 119.02186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitropropanoic acid
Also Known As: 3-nitropropionic acid, 3-Nitropropanoic acid, Bovinocidin, Hiptagenic acid, beta-Nitropropionic acid
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5NO4 |
| Molecular Weight | 119.02186 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.02186 Da |
| Heavy Atoms | 8 |
| Complexity | 104.0 |
| Melting Point | 145 to 149 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C(C[N+](=O)[O-])C(=O)O |
| InChIKey | WBLZUCOIBUDNBV-UHFFFAOYSA-N |
Product Description
Applications: 3-Nitropropionic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
3-Nitropropionic acid (CAS 504-88-1) is a pharmaceutical intermediate with the molecular formula C3H5NO4 and a molecular weight of 119.02 g/mol. Key physical properties include a solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992). Synonyms include 3-nitropropionic acid and 3-Nitropropanoic acid.
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 3-Nitropropionic acid
Property Insights of 3-Nitropropionic acid
The XLogP value of -0.5 indicates that 3-Nitropropionic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitropropionic acid. Following Lipinski's Rule of Five, 3-Nitropropionic acid has 1 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 3-Nitropropionic acid?
The CAS number of 3-Nitropropionic acid is 504-88-1.
What is the molecular formula of 3-Nitropropionic acid?
The molecular formula of 3-Nitropropionic acid is C3H5NO4.
What is the molecular weight of 3-Nitropropionic acid?
The molecular weight of 3-Nitropropionic acid is 119.02186 g/mol.
What are the applications of 3-Nitropropionic acid?
3-Nitropropionic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Nitropropionic acid?
You can request a quote for 3-Nitropropionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitropropionic acid?
Yes, CoreyChem provides custom synthesis services for 3-Nitropropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.