2-(Methylnitroamino)ethyl nitrate
TL;DR: 2-(Methylnitroamino)ethyl nitrate (CAS 17096-47-8) is a chemical compound with molecular formula C3H7N3O5 and molecular weight 165.03857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[methyl(nitro)amino]ethyl nitrate
Also Known As: 2-(Methylnitroamino)ethyl nitrate, 2-[methyl(nitro)amino]ethyl nitrate, 2-(Methylnitramino)ethyl nitrate, N-Methyl-2-nitratoethylnitramine, 2-(Methylnitroamino)ethanol nitrate
Technical Specifications
| Molecular Formula | C3H7N3O5 |
| Molecular Weight | 165.03857 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.03857 Da |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
| SMILES | CN(CCO[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XYKVWCZODOKFIK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Methylnitroamino)ethyl nitrate
Property Insights of 2-(Methylnitroamino)ethyl nitrate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylnitroamino)ethyl nitrate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylnitroamino)ethyl nitrate. Following Lipinski's Rule of Five, 2-(Methylnitroamino)ethyl nitrate has 0 hydrogen bond donor(s) and 6 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-(Methylnitroamino)ethyl nitrate?
The CAS number of 2-(Methylnitroamino)ethyl nitrate is 17096-47-8.
What is the molecular formula of 2-(Methylnitroamino)ethyl nitrate?
The molecular formula of 2-(Methylnitroamino)ethyl nitrate is C3H7N3O5.
What is the molecular weight of 2-(Methylnitroamino)ethyl nitrate?
The molecular weight of 2-(Methylnitroamino)ethyl nitrate is 165.03857 g/mol.
Where can I buy 2-(Methylnitroamino)ethyl nitrate?
You can request a quote for 2-(Methylnitroamino)ethyl nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Methylnitroamino)ethyl nitrate?
Yes, CoreyChem provides custom synthesis services for 2-(Methylnitroamino)ethyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.