2-Methyl-2-nitro-1,3-propanediol
TL;DR: 2-Methyl-2-nitro-1,3-propanediol (CAS 77-49-6) is a chemical compound with molecular formula C4H9NO4 and molecular weight 135.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-nitropropane-1,3-diol
Also Known As: 2-Methyl-2-nitro-1,3-propanediol, Nitroisobutylglycol, NMPD, 2-METHYL-2-NITROPROPANE-1,3-DIOL, 2-Nitro-2-methyl-1,3-propanediol
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9NO4 |
| Molecular Weight | 135.05316 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.05316 Da |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
| SMILES | CC(CO)(CO)[N+](=O)[O-] |
| InChIKey | LOTYADDQWWVBDJ-UHFFFAOYSA-N |
Product Description
Applications: 2-Methyl-2-nitro-1,3-propanediol is used in polymer chemistry and functional materials synthesis, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methyl-2-nitro-1,3-propanediol (CAS 77-49-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Methyl-2-nitro-1,3-propanediol is a polymer intermediate identified by CAS number 77-49-6 and the molecular formula C4H9NO4 and a molecular weight of 135.05 g/mol. It is also known as 2-Methyl-2-nitro-1,3-propanediol and Nitroisobutylglycol.
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 2-Methyl-2-nitro-1,3-propanediol
Property Insights of 2-Methyl-2-nitro-1,3-propanediol
The XLogP value of -1.1 indicates that 2-Methyl-2-nitro-1,3-propanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-nitro-1,3-propanediol. Following Lipinski's Rule of Five, 2-Methyl-2-nitro-1,3-propanediol has 2 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 2-Methyl-2-nitro-1,3-propanediol?
The CAS number of 2-Methyl-2-nitro-1,3-propanediol is 77-49-6.
What is the molecular formula of 2-Methyl-2-nitro-1,3-propanediol?
The molecular formula of 2-Methyl-2-nitro-1,3-propanediol is C4H9NO4.
What is the molecular weight of 2-Methyl-2-nitro-1,3-propanediol?
The molecular weight of 2-Methyl-2-nitro-1,3-propanediol is 135.05316 g/mol.
What are the applications of 2-Methyl-2-nitro-1,3-propanediol?
2-Methyl-2-nitro-1,3-propanediol is used in polymer chemistry and functional materials synthesis, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2-Methyl-2-nitro-1,3-propanediol?
You can request a quote for 2-Methyl-2-nitro-1,3-propanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-2-nitro-1,3-propanediol?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-2-nitro-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.